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📄 dmpc.mol

📁 分子动力学模拟程序
💻 MOL
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     0    82    87  2.17900     94.33                     #  CTL2-HAL2     0    82    88  2.56100     46.73                     #  CTL2-CTL2     0    86    87  1.80200     22.61                     #  HAL2-HAL2     0    86    88  2.17900     94.33                     #  HAL2-CTL2     0    87    88  2.17900     94.33                     #  HAL2-CTL2     0    85    89  2.17900     94.33                     #  CTL2-HAL2     0    85    90  2.17900     94.33                     #  CTL2-HAL2     0    85    91  2.56100     46.73                     #  CTL2-CTL2     0    89    90  1.80200     22.61                     #  HAL2-HAL2     0    89    91  2.17900     94.33                     #  HAL2-CTL2     0    90    91  2.17900     94.33                     #  HAL2-CTL2     0    88    92  2.17900     94.33                     #  CTL2-HAL2     0    88    93  2.17900     94.33                     #  CTL2-HAL2     0    88    94  2.56100     46.73                     #  CTL2-CTL2     0    92    93  1.80200     22.61                     #  HAL2-HAL2     0    92    94  2.17900     94.33                     #  HAL2-CTL2     0    93    94  2.17900     94.33                     #  HAL2-CTL2     0    91    95  2.17900     94.33                     #  CTL2-HAL2     0    91    96  2.17900     94.33                     #  CTL2-HAL2     0    91    97  2.56100     46.73                     #  CTL2-CTL2     0    95    96  1.80200     22.61                     #  HAL2-HAL2     0    95    97  2.17900     94.33                     #  HAL2-CTL2     0    96    97  2.17900     94.33                     #  HAL2-CTL2     0    94    98  2.17900     94.33                     #  CTL2-HAL2     0    94    99  2.17900     94.33                     #  CTL2-HAL2     0    94   100  2.56100     46.73                     #  CTL2-CTL2     0    98    99  1.80200     22.61                     #  HAL2-HAL2     0    98   100  2.17900     94.33                     #  HAL2-CTL2     0    99   100  2.17900     94.33                     #  HAL2-CTL2     0    97   101  2.17900     94.33                     #  CTL2-HAL2     0    97   102  2.17900     94.33                     #  CTL2-HAL2     0    97   103  2.56100     46.73                     #  CTL2-CTL2     0   101   102  1.80200     22.61                     #  HAL2-HAL2     0   101   103  2.17900     94.33                     #  HAL2-CTL2     0   102   103  2.17900     94.33                     #  HAL2-CTL2     0   100   104  2.17900     94.33                     #  CTL2-HAL2     0   100   105  2.17900     94.33                     #  CTL2-HAL2     0   100   106  2.56100     46.73                     #  CTL2-CTL2     0   104   105  1.80200     22.61                     #  HAL2-HAL2     0   104   106  2.17900     94.33                     #  HAL2-CTL2     0   105   106  2.17900     94.33                     #  HAL2-CTL2     0   103   107  2.17900     94.33                     #  CTL2-HAL2     0   103   108  2.17900     94.33                     #  CTL2-HAL2     0   103   109  2.56100     46.73                     #  CTL2-CTL2     0   107   108  1.80200     22.61                     #  HAL2-HAL2     0   107   109  2.17900     94.33                     #  HAL2-CTL2     0   108   109  2.17900     94.33                     #  HAL2-CTL2     0   106   110  2.17900     94.33                     #  CTL2-HAL2     0   106   111  2.17900     94.33                     #  CTL2-HAL2     0   106   112  2.56100     46.73                     #  CTL2-CTL2     0   110   111  1.80200     22.61                     #  HAL2-HAL2     0   110   112  2.17900     94.33                     #  HAL2-CTL2     0   111   112  2.17900     94.33                     #  HAL2-CTL2     0   109   113  2.17900     94.33                     #  CTL2-HAL2     0   109   114  2.17900     94.33                     #  CTL2-HAL2     0   109   115  2.56100     33.50                     #  CTL2-CTL3     0   113   114  1.80200     22.61                     #  HAL2-HAL2     0   113   115  2.17900     94.33                     #  HAL2-CTL3     0   114   115  2.17900     94.33                     #  HAL2-CTL3     0   112   116  2.17900     94.33                     #  CTL2-HAL3     0   112   117  2.17900     94.33                     #  CTL2-HAL3     0   112   118  2.17900     94.33                     #  CTL2-HAL3     0   116   117  1.80200     22.61                     #  HAL3-HAL3     0   116   118  1.80200     22.61                     #  HAL3-HAL3     0   117   118  1.80200     22.61                     #  HAL3-HAL3#  Number of angles          226     2     1     3  125.0000    293.09     #  OBL -CL  -CTL2     2     1    76  125.9000    376.83     #  OBL -CL  -OSL      3     1    76  109.0000    230.28     #  CTL2-CL  -OSL      1     3     4  109.5000    138.17     #  CL  -CTL2-HAL2     1     3     5  109.5000    138.17     #  CL  -CTL2-HAL2     1     3     6  108.0000    217.72     #  CL  -CTL2-CTL2     4     3     5  109.0000    148.64     #  HAL2-CTL2-HAL2     4     3     6  110.1000    110.96     #  HAL2-CTL2-CTL2     5     3     6  110.1000    110.96     #  HAL2-CTL2-CTL2     3     6     7  110.1000    110.96     #  CTL2-CTL2-HAL2     3     6     8  110.1000    110.96     #  CTL2-CTL2-HAL2     3     6     9  113.6000    244.31     #  CTL2-CTL2-CTL2     7     6     8  109.0000    148.64     #  HAL2-CTL2-HAL2     7     6     9  110.1000    110.96     #  HAL2-CTL2-CTL2     8     6     9  110.1000    110.96     #  HAL2-CTL2-CTL2     6     9    10  110.1000    110.96     #  CTL2-CTL2-HAL2     6     9    11  110.1000    110.96     #  CTL2-CTL2-HAL2     6     9    12  113.6000    244.31     #  CTL2-CTL2-CTL2    10     9    11  109.0000    148.64     #  HAL2-CTL2-HAL2    10     9    12  110.1000    110.96     #  HAL2-CTL2-CTL2    11     9    12  110.1000    110.96     #  HAL2-CTL2-CTL2     9    12    13  110.1000    110.96     #  CTL2-CTL2-HAL2     9    12    14  110.1000    110.96     #  CTL2-CTL2-HAL2     9    12    15  113.6000    244.31     #  CTL2-CTL2-CTL2    13    12    14  109.0000    148.64     #  HAL2-CTL2-HAL2    13    12    15  110.1000    110.96     #  HAL2-CTL2-CTL2    14    12    15  110.1000    110.96     #  HAL2-CTL2-CTL2    12    15    16  110.1000    110.96     #  CTL2-CTL2-HAL2    12    15    17  110.1000    110.96     #  CTL2-CTL2-HAL2    12    15    18  113.6000    244.31     #  CTL2-CTL2-CTL2    16    15    17  109.0000    148.64     #  HAL2-CTL2-HAL2    16    15    18  110.1000    110.96     #  HAL2-CTL2-CTL2    17    15    18  110.1000    110.96     #  HAL2-CTL2-CTL2    15    18    19  110.1000    110.96     #  CTL2-CTL2-HAL2    15    18    20  110.1000    110.96     #  CTL2-CTL2-HAL2    15    18    21  113.6000    244.31     #  CTL2-CTL2-CTL2    19    18    20  109.0000    148.64     #  HAL2-CTL2-HAL2    19    18    21  110.1000    110.96     #  HAL2-CTL2-CTL2    20    18    21  110.1000    110.96     #  HAL2-CTL2-CTL2    18    21    22  110.1000    110.96     #  CTL2-CTL2-HAL2    18    21    23  110.1000    110.96     #  CTL2-CTL2-HAL2    18    21    24  113.6000    244.31     #  CTL2-CTL2-CTL2    22    21    23  109.0000    148.64     #  HAL2-CTL2-HAL2    22    21    24  110.1000    110.96     #  HAL2-CTL2-CTL2    23    21    24  110.1000    110.96     #  HAL2-CTL2-CTL2    21    24    25  110.1000    110.96     #  CTL2-CTL2-HAL2    21    24    26  110.1000    110.96     #  CTL2-CTL2-HAL2    21    24    27  113.6000    244.31     #  CTL2-CTL2-CTL2    25    24    26  109.0000    148.64     #  HAL2-CTL2-HAL2    25    24    27  110.1000    110.96     #  HAL2-CTL2-CTL2    26    24    27  110.1000    110.96     #  HAL2-CTL2-CTL2    24    27    28  110.1000    110.96     #  CTL2-CTL2-HAL2    24    27    29  110.1000    110.96     #  CTL2-CTL2-HAL2    24    27    30  113.6000    244.31     #  CTL2-CTL2-CTL2    28    27    29  109.0000    148.64     #  HAL2-CTL2-HAL2    28    27    30  110.1000    110.96     #  HAL2-CTL2-CTL2    29    27    30  110.1000    110.96     #  HAL2-CTL2-CTL2    27    30    31  110.1000    110.96     #  CTL2-CTL2-HAL2    27    30    32  110.1000    110.96     #  CTL2-CTL2-HAL2    27    30    33  113.6000    244.31     #  CTL2-CTL2-CTL2    31    30    32  109.0000    148.64     #  HAL2-CTL2-HAL2    31    30    33  110.1000    110.96     #  HAL2-CTL2-CTL2    32    30    33  110.1000    110.96     #  HAL2-CTL2-CTL2    30    33    34  110.1000    110.96     #  CTL2-CTL2-HAL2    30    33    35  110.1000    110.96     #  CTL2-CTL2-HAL2    30    33    36  113.6000    244.31     #  CTL2-CTL2-CTL2    34    33    35  109.0000    148.64     #  HAL2-CTL2-HAL2    34    33    36  110.1000    110.96     #  HAL2-CTL2-CTL2    35    33    36  110.1000    110.96     #  HAL2-CTL2-CTL2    33    36    37  110.1000    110.96     #  CTL2-CTL2-HAL2    33    36    38  110.1000    110.96     #  CTL2-CTL2-HAL2    33    36    39  115.0000    242.85     #  CTL2-CTL2-CTL3    37    36    38  109.0000    148.64     #  HAL2-CTL2-HAL2    37    36    39  110.1000    144.87     #  HAL2-CTL2-CTL3    38    36    39  110.1000    144.87     #  HAL2-CTL2-CTL3    36    39    40  110.1000    144.87     #  CTL2-CTL3-HAL3    36    39    41  110.1000    144.87     #  CTL2-CTL3-HAL3    36    39    42  110.1000    144.87     #  CTL2-CTL3-HAL3    40    39    41  108.4000    148.64     #  HAL3-CTL3-HAL3    40    39    42  108.4000    148.64     #  HAL3-CTL3-HAL3    41    39    42  108.4000    148.64     #  HAL3-CTL3-HAL3    44    43    45  109.5000    251.22     #  CTL2-NTL -CTL5    44    43    46  109.5000    251.22     #  CTL2-NTL -CTL5    44    43    47  109.5000    251.22     #  CTL2-NTL -CTL5    45    43    46  109.5000    251.22     #  CTL5-NTL -CTL5    45    43    47  109.5000    251.22     #  CTL5-NTL -CTL5    46    43    47  109.5000    251.22     #  CTL5-NTL -CTL5    43    44    48  109.5000    167.48     #  NTL -CTL2-HL      43    44    49  109.5000    167.48     #  NTL -CTL2-HL      43    44    59  115.0000    283.46     #  NTL -CTL2-CTL2    48    44    49  109.5000    100.49     #  HL  -CTL2-HL      48    44    59  110.1000    139.97     #  HL  -CTL2-CTL2    49    44    59  110.1000    139.97     #  HL  -CTL2-CTL2    43    45    50  109.5000    167.48     #  NTL -CTL5-HL      43    45    51  109.5000    167.48     #  NTL -CTL5-HL      43    45    52  109.5000    167.48     #  NTL -CTL5-HL      50    45    51  109.5000    100.49     #  HL  -CTL5-HL      50    45    52  109.5000    100.49     #  HL  -CTL5-HL      51    45    52  109.5000    100.49     #  HL  -CTL5-HL      43    46    53  109.5000    167.48     #  NTL -CTL5-HL      43    46    54  109.5000    167.48     #  NTL -CTL5-HL      43    46    55  109.5000    167.48     #  NTL -CTL5-HL      53    46    54  109.5000    100.49     #  HL  -CTL5-HL      53    46    55  109.5000    100.49     #  HL  -CTL5-HL      54    46    55  109.5000    100.49     #  HL  -CTL5-HL      43    47    56  109.5000    167.48     #  NTL -CTL5-HL      43    47    57  109.5000    167.48     #  NTL -CTL5-HL      43    47    58  109.5000    167.48     #  NTL -CTL5-HL      56    47    57  109.5000    100.49     #  HL  -CTL5-HL      56    47    58  109.5000    100.49     #  HL  -CTL5-HL      57    47    58  109.5000    100.49     #  HL  -CTL5-HL      44    59    60  110.1000    110.96     #  CTL2-CTL2-HAL2    44    59    61  110.1000    110.96     #  CTL2-CTL2-HAL2    44    59    66  110.1000    316.96     #  CTL2-CTL2-OSL     60    59    61  109.0000    148.64     #  HAL2-CTL2-HAL2    60    59    66  109.5000    251.22     #  HAL2-CTL2-OSL     61    59    66  109.5000    251.22     #  HAL2-CTL2-OSL     63    62    64  120.0000    502.44     #  O2L -PL  -O2L     63    62    65  111.6000    414.09     #  O2L -PL  -OSL     63    62    66  111.6000    414.09     #  O2L -PL  -OSL     64    62    65  111.6000    414.09     #  O2L -PL  -OSL     64    62    66  111.6000    414.09     #  O2L -PL  -OSL     65    62    66  104.3000    334.96     #  OSL -PL  -OSL     62    65    67  120.0000     83.74     #  PL  -OSL -CTL2    59    66    62  120.0000     83.74     #  CTL2-OSL -PL  

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