📄 dmpc.mol
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# Number of atoms 118C1 -14.778 -15.353 12.085 12.0110 0.6300 3.5640 0.2931 CL 1O2 -13.894 -15.079 11.290 15.9994 -0.5200 3.0294 0.5024 OBL 2C3 -16.278 -15.126 11.925 12.0110 -0.0800 3.5818 0.2345 CTL2 3H4 -16.670 -14.899 12.940 1.0080 0.0900 2.3879 0.1172 HAL2 4H5 -16.884 -15.948 11.487 1.0080 0.0900 2.3879 0.1172 HAL2 5C6 -16.439 -13.920 10.993 12.0110 -0.1800 3.5818 0.2345 CTL2 6H7 -16.163 -14.179 9.949 1.0080 0.0900 2.3879 0.1172 HAL2 7H8 -15.860 -13.008 11.252 1.0080 0.0900 2.3879 0.1172 HAL2 8C9 -17.878 -13.498 10.901 12.0110 -0.1800 3.5818 0.2345 CTL2 9H10 -18.065 -12.919 11.830 1.0080 0.0900 2.3879 0.1172 HAL2 10H11 -18.475 -14.394 11.176 1.0080 0.0900 2.3879 0.1172 HAL2 11C12 -18.314 -12.847 9.608 12.0110 -0.1800 3.5818 0.2345 CTL2 12H13 -17.751 -13.260 8.744 1.0080 0.0900 2.3879 0.1172 HAL2 13H14 -17.982 -11.793 9.488 1.0080 0.0900 2.3879 0.1172 HAL2 14C15 -19.865 -12.875 9.422 12.0110 -0.1800 3.5818 0.2345 CTL2 15H16 -20.418 -12.772 10.380 1.0080 0.0900 2.3879 0.1172 HAL2 16H17 -20.018 -13.928 9.102 1.0080 0.0900 2.3879 0.1172 HAL2 17C18 -20.424 -11.836 8.405 12.0110 -0.1800 3.5818 0.2345 CTL2 18H19 -19.751 -11.766 7.524 1.0080 0.0900 2.3879 0.1172 HAL2 19H20 -20.455 -10.790 8.776 1.0080 0.0900 2.3879 0.1172 HAL2 20C21 -21.703 -12.169 7.778 12.0110 -0.1800 3.5818 0.2345 CTL2 21H22 -22.444 -12.395 8.575 1.0080 0.0900 2.3879 0.1172 HAL2 22H23 -21.616 -13.113 7.199 1.0080 0.0900 2.3879 0.1172 HAL2 23C24 -22.257 -10.932 7.098 12.0110 -0.1800 3.5818 0.2345 CTL2 24H25 -21.464 -10.442 6.493 1.0080 0.0900 2.3879 0.1172 HAL2 25H26 -22.530 -10.151 7.840 1.0080 0.0900 2.3879 0.1172 HAL2 26C27 -23.331 -11.309 6.114 12.0110 -0.1800 3.5818 0.2345 CTL2 27H28 -24.276 -11.533 6.654 1.0080 0.0900 2.3879 0.1172 HAL2 28H29 -22.999 -12.238 5.602 1.0080 0.0900 2.3879 0.1172 HAL2 29C30 -23.462 -10.152 5.103 12.0110 -0.1800 3.5818 0.2345 CTL2 30H31 -22.436 -9.767 4.922 1.0080 0.0900 2.3879 0.1172 HAL2 31H32 -23.967 -9.286 5.582 1.0080 0.0900 2.3879 0.1172 HAL2 32C33 -24.050 -10.408 3.754 12.0110 -0.1800 3.5818 0.2345 CTL2 33H34 -24.728 -11.281 3.865 1.0080 0.0900 2.3879 0.1172 HAL2 34H35 -23.233 -10.736 3.077 1.0080 0.0900 2.3879 0.1172 HAL2 35C36 -24.702 -9.137 3.142 12.0110 -0.1800 3.5818 0.2345 CTL2 36H37 -23.925 -8.538 2.620 1.0080 0.0900 2.3879 0.1172 HAL2 37H38 -25.292 -8.560 3.886 1.0080 0.0900 2.3879 0.1172 HAL2 38C39 -25.635 -9.669 2.013 12.0110 -0.2700 3.6353 0.3266 CTL3 39H40 -26.668 -9.893 2.355 1.0080 0.0900 2.3879 0.1005 HAL3 40H41 -25.322 -10.704 1.758 1.0080 0.0900 2.3879 0.1005 HAL3 41H42 -25.797 -8.857 0.742 1.0080 0.0900 2.3879 0.1005 HAL3 42N43 -6.252 -17.181 17.120 14.0070 -0.6000 3.2967 0.8374 NTL 43C44 -6.434 -17.295 15.689 12.0110 -0.1000 3.5818 0.2345 CTL2 44C45 -6.773 -15.852 17.737 12.0110 -0.3500 3.6709 0.3350 CTL5 45C46 -4.822 -17.392 17.374 12.0110 -0.3500 3.6709 0.3350 CTL5 46C47 -7.011 -18.333 17.840 12.0110 -0.3500 3.6709 0.3350 CTL5 47H48 -6.222 -18.339 15.511 1.0080 0.2500 1.2474 0.1926 HL 48H49 -5.704 -16.731 15.128 1.0080 0.2500 1.2474 0.1926 HL 49H50 -7.802 -15.647 17.480 1.0080 0.2500 1.2474 0.1926 HL 50H51 -6.182 -14.978 17.505 1.0080 0.2500 1.2474 0.1926 HL 51H52 -6.768 -16.035 18.801 1.0080 0.2500 1.2474 0.1926 HL 52H53 -4.192 -16.594 17.009 1.0080 0.2500 1.2474 0.1926 HL 53H54 -4.493 -18.286 16.865 1.0080 0.2500 1.2474 0.1926 HL 54H55 -4.596 -17.646 18.399 1.0080 0.2500 1.2474 0.1926 HL 55H56 -6.807 -18.329 18.901 1.0080 0.2500 1.2474 0.1926 HL 56H57 -6.760 -19.317 17.473 1.0080 0.2500 1.2474 0.1926 HL 57H58 -8.068 -18.331 17.618 1.0080 0.2500 1.2474 0.1926 HL 58C59 -7.783 -16.886 15.035 12.0110 -0.0800 3.5818 0.2345 CTL2 59H60 -7.614 -17.102 13.958 1.0080 0.0900 2.3879 0.1172 HAL2 60H61 -7.908 -15.812 15.290 1.0080 0.0900 2.3879 0.1172 HAL2 61P62 -10.155 -17.093 15.977 30.9740 1.5000 3.8313 2.4494 PL 62O63 -10.139 -15.631 15.679 15.9994 -0.7800 3.0294 0.5024 O2L 63O64 -10.244 -17.492 17.394 15.9994 -0.7800 3.0294 0.5024 O2L 64O65 -11.293 -17.786 15.095 15.9994 -0.5700 3.1541 0.6368 OSL 65O66 -8.784 -17.731 15.512 15.9994 -0.5700 3.1541 0.6368 OSL 66C67 -11.262 -17.873 13.644 12.0110 -0.0800 3.5818 0.2345 CTL2 67H68 -10.869 -18.853 13.299 1.0080 0.0900 2.3879 0.1172 HAL2 68H69 -10.644 -17.074 13.182 1.0080 0.0900 2.3879 0.1172 HAL2 69C70 -12.757 -17.827 13.200 12.0110 0.0400 4.0540 0.0837 CTL1 70H71 -13.276 -18.641 13.750 1.0080 0.0900 2.3522 0.0921 HAL1 71O72 -12.661 -18.120 11.782 15.9994 -0.3400 3.1541 0.6368 OSL 72C73 -13.345 -16.406 13.630 12.0110 -0.0500 3.5818 0.2345 CTL2 73H74 -12.614 -15.701 13.179 1.0080 0.0900 2.3879 0.1172 HAL2 74H75 -13.330 -16.288 14.734 1.0080 0.0900 2.3879 0.1172 HAL2 75O76 -14.671 -16.200 13.100 15.9994 -0.3400 3.1541 0.6368 OSL 76C77 -13.711 -18.588 11.147 12.0110 0.6300 3.5640 0.2931 CL 77O78 -14.847 -18.831 11.605 15.9994 -0.5200 3.0294 0.5024 OBL 78C79 -13.327 -18.971 9.736 12.0110 -0.0800 3.5818 0.2345 CTL2 79H80 -13.708 -19.968 9.425 1.0080 0.0900 2.3879 0.1172 HAL2 80H81 -12.219 -18.988 9.657 1.0080 0.0900 2.3879 0.1172 HAL2 81C82 -13.706 -17.848 8.709 12.0110 -0.1800 3.5818 0.2345 CTL2 82H83 -13.372 -18.172 7.700 1.0080 0.0900 2.3879 0.1172 HAL2 83H84 -13.112 -16.957 9.005 1.0080 0.0900 2.3879 0.1172 HAL2 84C85 -15.181 -17.632 8.689 12.0110 -0.1800 3.5818 0.2345 CTL2 85H86 -15.543 -17.336 9.697 1.0080 0.0900 2.3879 0.1172 HAL2 86H87 -15.692 -18.610 8.563 1.0080 0.0900 2.3879 0.1172 HAL2 87C88 -15.475 -16.660 7.570 12.0110 -0.1800 3.5818 0.2345 CTL2 88H89 -15.007 -17.134 6.681 1.0080 0.0900 2.3879 0.1172 HAL2 89H90 -14.918 -15.708 7.710 1.0080 0.0900 2.3879 0.1172 HAL2 90C91 -16.976 -16.331 7.537 12.0110 -0.1800 3.5818 0.2345 CTL2 91H92 -17.297 -15.769 8.440 1.0080 0.0900 2.3879 0.1172 HAL2 92H93 -17.468 -17.322 7.428 1.0080 0.0900 2.3879 0.1172 HAL2 93C94 -17.210 -15.604 6.211 12.0110 -0.1800 3.5818 0.2345 CTL2 94H95 -16.731 -16.117 5.350 1.0080 0.0900 2.3879 0.1172 HAL2 95H96 -16.665 -14.649 6.372 1.0080 0.0900 2.3879 0.1172 HAL2 96C97 -18.670 -15.199 5.865 12.0110 -0.1800 3.5818 0.2345 CTL2 97H98 -19.009 -14.308 6.436 1.0080 0.0900 2.3879 0.1172 HAL2 98H99 -19.254 -16.032 6.311 1.0080 0.0900 2.3879 0.1172 HAL2 99C100 -18.849 -14.988 4.347 12.0110 -0.1800 3.5818 0.2345 CTL2 100H101 -18.558 -15.841 3.698 1.0080 0.0900 2.3879 0.1172 HAL2 101H102 -18.298 -14.048 4.132 1.0080 0.0900 2.3879 0.1172 HAL2 102C103 -20.283 -14.446 4.047 12.0110 -0.1800 3.5818 0.2345 CTL2 103H104 -20.670 -13.696 4.770 1.0080 0.0900 2.3879 0.1172 HAL2 104H105 -20.976 -15.310 4.131 1.0080 0.0900 2.3879 0.1172 HAL2 105C106 -20.277 -13.793 2.682 12.0110 -0.1800 3.5818 0.2345 CTL2 106H107 -19.769 -14.439 1.934 1.0080 0.0900 2.3879 0.1172 HAL2 107H108 -19.651 -12.876 2.709 1.0080 0.0900 2.3879 0.1172 HAL2 108C109 -21.564 -13.512 2.030 12.0110 -0.1800 3.5818 0.2345 CTL2 109H110 -22.161 -12.726 2.539 1.0080 0.0900 2.3879 0.1172 HAL2 110H111 -22.262 -14.376 2.042 1.0080 0.0900 2.3879 0.1172 HAL2 111C112 -21.384 -13.096 0.539 12.0110 -0.1800 3.5818 0.2345 CTL2 112H113 -20.701 -13.819 0.042 1.0080 0.0900 2.3879 0.1172 HAL2 113H114 -20.991 -12.063 0.427 1.0080 0.0900 2.3879 0.1172 HAL2 114C115 -22.769 -13.104 -0.208 12.0110 -0.2700 3.6353 0.3266 CTL3 115H116 -23.444 -12.501 0.437 1.0080 0.0900 2.3879 0.1005 HAL3 116H117 -23.236 -14.104 -0.334 1.0080 0.0900 2.3879 0.1005 HAL3 117H118 -22.852 -12.475 -1.637 1.0080 0.0900 2.3879 0.1005 HAL3 118 3 File created by utility MAKEMOL, package MDynaMix Coordinates taken from file dmpc.smol Force field from file char27_lipid.ff # Number of bonds 322 0 1 2 1.22000 3140.25 # CL -OBL 0 1 3 1.52200 837.40 # CL -CTL2 0 1 76 1.33400 628.05 # CL -OSL 0 3 4 1.11100 1293.78 # CTL2-HAL2 0 3 5 1.11100 1293.78 # CTL2-HAL2 0 3 6 1.53000 931.61 # CTL2-CTL2 0 6 7 1.11100 1293.78 # CTL2-HAL2 0 6 8 1.11100 1293.78 # CTL2-HAL2 0 6 9 1.53000 931.61 # CTL2-CTL2 0 9 10 1.11100 1293.78 # CTL2-HAL2 0 9 11 1.11100 1293.78 # CTL2-HAL2 0 9 12 1.53000 931.61 # CTL2-CTL2 0 12 13 1.11100 1293.78 # CTL2-HAL2 0 12 14 1.11100 1293.78 # CTL2-HAL2 0 12 15 1.53000 931.61 # CTL2-CTL2 0 15 16 1.11100 1293.78 # CTL2-HAL2 0 15 17 1.11100 1293.78 # CTL2-HAL2 0 15 18 1.53000 931.61 # CTL2-CTL2 0 18 19 1.11100 1293.78 # CTL2-HAL2 0 18 20 1.11100 1293.78 # CTL2-HAL2 0 18 21 1.53000 931.61 # CTL2-CTL2 0 21 22 1.11100 1293.78 # CTL2-HAL2 0 21 23 1.11100 1293.78 # CTL2-HAL2 0 21 24 1.53000 931.61 # CTL2-CTL2 0 24 25 1.11100 1293.78 # CTL2-HAL2 0 24 26 1.11100 1293.78 # CTL2-HAL2 0 24 27 1.53000 931.61 # CTL2-CTL2 0 27 28 1.11100 1293.78 # CTL2-HAL2 0 27 29 1.11100 1293.78 # CTL2-HAL2 0 27 30 1.53000 931.61 # CTL2-CTL2 0 30 31 1.11100 1293.78 # CTL2-HAL2 0 30 32 1.11100 1293.78 # CTL2-HAL2 0 30 33 1.53000 931.61 # CTL2-CTL2 0 33 34 1.11100 1293.78 # CTL2-HAL2 0 33 35 1.11100 1293.78 # CTL2-HAL2 0 33 36 1.53000 931.61 # CTL2-CTL2 0 36 37 1.11100 1293.78 # CTL2-HAL2 0 36 38 1.11100 1293.78 # CTL2-HAL2 0 36 39 1.52800 931.61 # CTL2-CTL3 0 39 40 1.11100 1348.21 # CTL3-HAL3 0 39 41 1.11100 1348.21 # CTL3-HAL3 0 39 42 1.11100 1348.21 # CTL3-HAL3 0 43 44 1.51000 900.20 # NTL -CTL2 0 43 45 1.51000 900.20 # NTL -CTL5 0 43 46 1.51000 900.20 # NTL -CTL5 0 43 47 1.51000 900.20 # NTL -CTL5 0 44 48 1.08000 1256.10 # CTL2-HL 0 44 49 1.08000 1256.10 # CTL2-HL 0 44 59 1.53000 931.61 # CTL2-CTL2 0 45 50 1.08000 1256.10 # CTL5-HL 0 45 51 1.08000 1256.10 # CTL5-HL 0 45 52 1.08000 1256.10 # CTL5-HL 0 46 53 1.08000 1256.10 # CTL5-HL 0 46 54 1.08000 1256.10 # CTL5-HL 0 46 55 1.08000 1256.10 # CTL5-HL 0 47 56 1.08000 1256.10 # CTL5-HL 0 47 57 1.08000 1256.10 # CTL5-HL 0 47 58 1.08000 1256.10 # CTL5-HL 0 59 60 1.11100 1293.78 # CTL2-HAL2 0 59 61 1.11100 1293.78 # CTL2-HAL2 0 59 66 1.43000 1423.58 # CTL2-OSL 0 62 63 1.48000 2428.46 # PL -O2L 0 62 64 1.48000 2428.46 # PL -O2L 0 62 65 1.60000 1130.49 # PL -OSL 0 62 66 1.60000 1130.49 # PL -OSL 0 65 67 1.43000 1423.58 # OSL -CTL2⌨️ 快捷键说明
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