@MOLECULE (2s,3r,4e)-3-hydroxy-2-[(15z)-15-tetracosenoylamino]-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate 60 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 6.4137 2.4080 -0.2115 C.2 1 UNL1 0.2131 2 C 7.3291 2.5683 -1.4205 C.2 1 UNL1 0.3642 3 C 8.1230 1.4164 -1.7975 C.3 1 UNL1 -0.1526 4 N 5.1908 2.0251 -0.2612 N.am 1 UNL1 -0.4668 5 C 7.0450 2.7464 1.0756 C.3 1 UNL1 0.1346 6 O 6.5984 2.1968 2.2563 O.3 1 UNL1 -0.2021 7 C 4.5351 1.6435 -1.4686 C.2 1 UNL1 0.6084 8 O 5.1077 1.0162 -2.3304 O.2 1 UNL1 -0.4296 9 C 3.1541 1.9867 -1.4935 C.1 1 UNL1 -0.1395 10 O 7.3775 3.6295 -1.9992 O.2 1 UNL1 -0.3571 11 C 1.9673 2.2597 -1.5200 C.1 1 UNL1 0.0746 12 C 0.6454 2.5406 -1.5382 C.1 1 UNL1 -0.0301 13 C -0.5575 2.7802 -1.5449 C.1 1 UNL1 0.0340 14 C -1.8754 3.0244 -1.5408 C.1 1 UNL1 -0.0276 15 C -3.0962 3.2408 -1.5288 C.1 1 UNL1 0.0200 16 C -4.4005 3.4546 -1.5048 C.1 1 UNL1 -0.0143 17 C -5.6456 3.6430 -1.4703 C.1 1 UNL1 0.0084 18 C -6.9283 3.8283 -1.4241 C.3 1 UNL1 0.0003 19 C -8.2039 3.9968 -1.3643 C.1 1 UNL1 -0.0076 20 C -9.4642 4.1536 -1.2948 C.1 1 UNL1 0.0126 21 C -10.7654 4.2971 -1.2083 C.1 1 UNL1 -0.0437 22 C -12.0012 4.4159 -1.1149 C.1 1 UNL1 -0.0090 23 C -13.3649 4.5294 -1.0017 C.2 1 UNL1 -0.1044 24 C -14.1394 3.5878 -0.3483 C.2 1 UNL1 -0.0916 25 C -13.6055 2.4661 0.2427 C.1 1 UNL1 -0.0392 26 C -13.1143 1.4605 0.7733 C.1 1 UNL1 -0.0083 27 C -12.5716 0.3883 1.3346 C.1 1 UNL1 -0.0403 28 C -12.0479 -0.6202 1.8610 C.1 1 UNL1 0.0985 29 C -11.4934 -1.6686 2.4067 C.1 1 UNL1 -0.2142 30 C -10.9479 -2.6870 2.9401 C.1 1 UNL1 0.3322 31 C -10.3925 -3.7158 3.4778 C.1 1 UNL1 -0.6350 32 C -9.8339 -4.7470 4.0160 C.1 1 UNL1 0.4226 33 C 8.2707 0.2647 -0.9587 C.3 1 UNL1 -0.1254 34 C 7.3608 -0.7451 -0.9598 C.1 1 UNL1 0.0547 35 C 6.5367 -1.6645 -0.9615 C.1 1 UNL1 -0.0706 36 C 5.6130 -2.6384 -0.9592 C.1 1 UNL1 0.0582 37 C 4.7527 -3.5117 -0.9595 C.1 1 UNL1 -0.0719 38 C 3.8010 -4.4672 -0.9707 C.1 1 UNL1 0.0504 39 C 2.9335 -5.3303 -0.9903 C.1 1 UNL1 -0.0522 40 C 1.9795 -6.2809 -1.0213 C.1 1 UNL1 0.0516 41 C 1.1105 -7.1503 -1.0592 C.1 1 UNL1 -0.0610 42 C 0.1684 -8.0941 -1.1079 C.1 1 UNL1 0.0985 43 C -0.7118 -8.9757 -1.1606 C.1 1 UNL1 -0.1894 44 C -1.6355 -9.9015 -1.2195 C.1 1 UNL1 0.2939 45 C -2.5331 -10.8004 -1.2787 C.1 1 UNL1 -0.6242 46 C -3.4461 -11.7158 -1.3409 C.3 1 UNL1 0.4067 47 O 4.9836 0.2846 2.4060 O.3 1 UNL1 -0.1698 48 C 4.1893 -0.0719 1.6170 C.1 1 UNL1 0.7163 49 C 3.2552 -0.5101 0.8533 C.1 1 UNL1 -0.8587 50 N 8.8294 4.4995 1.6719 N.1 1 UNL1 -0.4190 51 C 9.6239 5.2991 2.0877 C.1 1 UNL1 0.3756 52 C 7.9748 3.6814 1.1661 C.3 1 UNL1 0.0460 53 C 2.3262 -0.9543 0.0889 C.3 1 UNL1 0.5004 54 P 6.7837 0.6362 2.5963 P.3 1 UNL1 0.3376 55 O 7.3536 -0.1636 1.5355 O.2 1 UNL1 -0.2749 56 O 6.6947 0.5548 4.0364 O.3 1 UNL1 -0.1287 57 H 8.6239 1.4332 -2.7633 H 1 UNL1 0.1891 58 H 9.1452 0.2153 -0.2984 H 1 UNL1 0.2020 59 H -13.8405 5.4094 -1.4572 H 1 UNL1 0.1783 60 H -15.2292 3.7244 -0.2873 H 1 UNL1 0.1762 @BOND 1 57 3 1 2 8 7 2 3 10 2 2 4 3 2 1 5 3 33 1 6 13 14 1 7 13 12 3 8 14 15 3 9 12 11 1 10 15 16 1 11 11 9 3 12 16 17 3 13 9 7 1 14 17 18 1 15 7 4 1 16 59 23 1 17 18 19 1 18 2 1 1 19 19 20 3 20 46 45 1 21 20 21 1 22 45 44 3 23 44 43 1 24 21 22 3 25 43 42 3 26 22 23 1 27 42 41 1 28 41 40 3 29 40 39 1 30 23 24 2 31 39 38 3 32 38 37 1 33 35 34 3 34 35 36 1 35 34 33 1 36 37 36 3 37 33 58 1 38 24 60 1 39 24 25 1 40 4 1 2 41 1 5 1 42 53 49 1 43 25 26 3 44 26 27 1 45 49 48 3 46 5 52 1 47 5 6 1 48 52 50 1 49 27 28 3 50 55 54 2 51 48 47 1 52 50 51 3 53 28 29 1 54 6 54 1 55 47 54 1 56 29 30 3 57 54 56 1 58 30 31 1 59 31 32 3