@MOLECULE dipalmitoylphosphatidic acid 113 112 0 0 0 SMALL GASTEIGER @ATOM 1 P -0.4686 4.8279 -2.2242 P.3 1 UNL1111 0.3374 2 O -1.5093 3.7093 -2.7085 O.3 1 UNL1111 -0.3568 3 O 0.6081 5.1892 -3.1269 O.2 1 UNL1111 -0.2613 4 O -1.4496 6.0455 -1.9221 O.3 1 UNL1111 -0.3103 5 O -0.1179 4.1855 -0.7928 O.3 1 UNL1111 -0.2587 6 C 0.7460 4.9234 0.0973 C.3 1 UNL1111 -0.0598 7 C 0.7922 4.0672 1.3766 C.3 1 UNL1111 0.0758 8 C -0.5519 3.7079 2.0098 C.3 1 UNL1111 -0.0579 9 O 1.4603 2.8291 1.1208 O.3 1 UNL1111 -0.4040 10 O -1.3019 2.8576 1.1356 O.3 1 UNL1111 -0.3604 11 C 2.8168 2.8976 1.0345 C.2 1 UNL1111 0.6079 12 O 3.4114 3.9310 1.2158 O.2 1 UNL1111 -0.5293 13 C 3.3978 1.5563 0.7092 C.3 1 UNL1111 -0.3517 14 C 4.9267 1.6413 0.7842 C.3 1 UNL1111 -0.2571 15 C 5.5985 0.2863 0.5332 C.3 1 UNL1111 -0.2706 16 C 7.1240 0.4520 0.5918 C.3 1 UNL1111 -0.2707 17 C 7.8563 -0.8720 0.3365 C.3 1 UNL1111 -0.2749 18 C 9.3740 -0.6422 0.3866 C.3 1 UNL1111 -0.2727 19 C 10.1434 -1.9420 0.1279 C.3 1 UNL1111 -0.2737 20 C 11.6592 -1.7040 0.1765 C.3 1 UNL1111 -0.2720 21 C 12.4067 -3.0175 -0.0850 C.3 1 UNL1111 -0.2732 22 C 13.9258 -2.8109 -0.0410 C.3 1 UNL1111 -0.2715 23 C 14.6601 -4.1333 -0.3037 C.3 1 UNL1111 -0.2721 24 C 16.1807 -3.9287 -0.2613 C.3 1 UNL1111 -0.2745 25 C 16.9116 -5.2515 -0.5256 C.3 1 UNL1111 -0.2725 26 C 18.4332 -5.0563 -0.4875 C.3 1 UNL1111 -0.2509 27 C 19.1616 -6.3757 -0.7457 C.3 1 UNL1111 -0.4396 28 C -2.6275 2.7811 1.4368 C.2 1 UNL1111 0.5935 29 O -3.1068 3.4136 2.3472 O.2 1 UNL1111 -0.5385 30 C -3.3575 1.8447 0.5203 C.3 1 UNL1111 -0.3466 31 C -4.6962 1.4611 1.1705 C.3 1 UNL1111 -0.2586 32 C -5.5615 0.5618 0.2785 C.3 1 UNL1111 -0.2707 33 C -6.9093 0.2716 0.9614 C.3 1 UNL1111 -0.2702 34 C -7.8154 -0.5994 0.0781 C.3 1 UNL1111 -0.2749 35 C -9.1622 -0.8690 0.7693 C.3 1 UNL1111 -0.2722 36 C -10.0667 -1.7382 -0.1163 C.3 1 UNL1111 -0.2735 37 C -11.4161 -2.0140 0.5631 C.3 1 UNL1111 -0.2719 38 C -12.3051 -2.8852 -0.3375 C.3 1 UNL1111 -0.2726 39 C -13.6589 -3.1676 0.3310 C.3 1 UNL1111 -0.2713 40 C -14.5485 -4.0396 -0.5683 C.3 1 UNL1111 -0.2720 41 C -15.9049 -4.3258 0.0952 C.3 1 UNL1111 -0.2740 42 C -16.7878 -5.1978 -0.8114 C.3 1 UNL1111 -0.2721 43 C -18.1436 -5.4925 -0.1543 C.3 1 UNL1111 -0.2508 44 C -19.0239 -6.3585 -1.0589 C.3 1 UNL1111 -0.4397 45 H -0.9787 2.9392 -3.1332 H 1 UNL1111 0.3227 46 H -2.2283 5.7036 -1.3445 H 1 UNL1111 0.3100 47 H 0.3548 5.9336 0.3434 H 1 UNL1111 0.1361 48 H 1.7748 5.0249 -0.3164 H 1 UNL1111 0.1582 49 H 1.3914 4.6373 2.1416 H 1 UNL1111 0.1535 50 H -1.1298 4.6316 2.2214 H 1 UNL1111 0.1554 51 H -0.4093 3.1447 2.9532 H 1 UNL1111 0.1421 52 H 3.0044 0.7773 1.3961 H 1 UNL1111 0.1770 53 H 3.0624 1.2400 -0.3026 H 1 UNL1111 0.1826 54 H 5.2965 2.3896 0.0530 H 1 UNL1111 0.1556 55 H 5.2276 2.0347 1.7766 H 1 UNL1111 0.1519 56 H 5.2684 -0.4536 1.2849 H 1 UNL1111 0.1369 57 H 5.2981 -0.1187 -0.4500 H 1 UNL1111 0.1381 58 H 7.4480 1.2059 -0.1515 H 1 UNL1111 0.1397 59 H 7.4192 0.8532 1.5811 H 1 UNL1111 0.1386 60 H 7.5597 -1.6280 1.0861 H 1 UNL1111 0.1358 61 H 7.5657 -1.2879 -0.6461 H 1 UNL1111 0.1362 62 H 9.6617 0.1206 -0.3618 H 1 UNL1111 0.1376 63 H 9.6587 -0.2263 1.3717 H 1 UNL1111 0.1372 64 H 9.8599 -2.7060 0.8760 H 1 UNL1111 0.1363 65 H 9.8609 -2.3586 -0.8574 H 1 UNL1111 0.1365 66 H 11.9497 -0.9432 -0.5715 H 1 UNL1111 0.1369 67 H 11.9490 -1.2890 1.1600 H 1 UNL1111 0.1367 68 H 12.1084 -3.7752 0.6638 H 1 UNL1111 0.1363 69 H 12.1108 -3.4278 -1.0690 H 1 UNL1111 0.1364 70 H 14.2273 -2.0550 -0.7898 H 1 UNL1111 0.1366 71 H 14.2237 -2.4024 0.9428 H 1 UNL1111 0.1365 72 H 14.3595 -4.8890 0.4448 H 1 UNL1111 0.1362 73 H 14.3608 -4.5425 -1.2871 H 1 UNL1111 0.1364 74 H 16.4817 -3.1723 -1.0093 H 1 UNL1111 0.1364 75 H 16.4816 -3.5210 0.7217 H 1 UNL1111 0.1363 76 H 16.6097 -6.0061 0.2240 H 1 UNL1111 0.1363 77 H 16.6082 -5.6635 -1.5067 H 1 UNL1111 0.1364 78 H 18.7364 -4.3025 -1.2381 H 1 UNL1111 0.1336 79 H 18.7354 -4.6423 0.4933 H 1 UNL1111 0.1335 80 H 20.2482 -6.2439 -0.7023 H 1 UNL1111 0.1401 81 H 18.8925 -7.1362 -0.0045 H 1 UNL1111 0.1422 82 H 18.9178 -6.7791 -1.7347 H 1 UNL1111 0.1422 83 H -2.7425 0.9488 0.3014 H 1 UNL1111 0.1757 84 H -3.5156 2.3349 -0.4652 H 1 UNL1111 0.1855 85 H -5.2573 2.3852 1.4260 H 1 UNL1111 0.1583 86 H -4.5073 0.9571 2.1404 H 1 UNL1111 0.1475 87 H -5.0351 -0.3864 0.0645 H 1 UNL1111 0.1366 88 H -5.7326 1.0468 -0.6999 H 1 UNL1111 0.1379 89 H -7.4224 1.2216 1.1996 H 1 UNL1111 0.1394 90 H -6.7388 -0.2314 1.9314 H 1 UNL1111 0.1381 91 H -7.3136 -1.5583 -0.1532 H 1 UNL1111 0.1355 92 H -7.9855 -0.1029 -0.8952 H 1 UNL1111 0.1361 93 H -9.6673 0.0871 1.0014 H 1 UNL1111 0.1374 94 H -8.9945 -1.3666 1.7423 H 1 UNL1111 0.1369 95 H -9.5598 -2.6927 -0.3501 H 1 UNL1111 0.1360 96 H -10.2331 -1.2386 -1.0890 H 1 UNL1111 0.1363 97 H -11.9270 -1.0611 0.7929 H 1 UNL1111 0.1367 98 H -11.2563 -2.5145 1.5363 H 1 UNL1111 0.1366 99 H -11.7889 -3.8355 -0.5673 H 1 UNL1111 0.1361 100 H -12.4627 -2.3835 -1.3106 H 1 UNL1111 0.1363 101 H -14.1704 -2.2142 0.5599 H 1 UNL1111 0.1365 102 H -13.5009 -3.6693 1.3038 H 1 UNL1111 0.1363 103 H -14.0337 -4.9912 -0.7972 H 1 UNL1111 0.1362 104 H -14.7056 -3.5380 -1.5412 H 1 UNL1111 0.1362 105 H -16.4215 -3.3754 0.3237 H 1 UNL1111 0.1362 106 H -15.7506 -4.8289 1.0679 H 1 UNL1111 0.1361 107 H -16.2710 -6.1474 -1.0414 H 1 UNL1111 0.1363 108 H -16.9430 -4.6938 -1.7832 H 1 UNL1111 0.1364 109 H -18.6664 -4.5458 0.0790 H 1 UNL1111 0.1334 110 H -17.9904 -5.9985 0.8178 H 1 UNL1111 0.1334 111 H -19.9974 -6.5555 -0.5940 H 1 UNL1111 0.1401 112 H -19.2146 -5.8717 -2.0218 H 1 UNL1111 0.1424 113 H -18.5577 -7.3248 -1.2627 H 1 UNL1111 0.1418 @BOND 1 1 2 1 2 1 3 2 3 1 4 1 4 1 5 1 5 2 45 1 6 4 46 1 7 5 6 1 8 6 7 1 9 6 47 1 10 6 48 1 11 7 8 1 12 7 9 1 13 7 49 1 14 8 10 1 15 8 50 1 16 8 51 1 17 9 11 1 18 10 28 1 19 11 12 2 20 11 13 1 21 13 14 1 22 13 52 1 23 13 53 1 24 14 15 1 25 14 54 1 26 14 55 1 27 15 16 1 28 15 56 1 29 15 57 1 30 16 17 1 31 16 58 1 32 16 59 1 33 17 18 1 34 17 60 1 35 17 61 1 36 18 19 1 37 18 62 1 38 18 63 1 39 19 20 1 40 19 64 1 41 19 65 1 42 20 21 1 43 20 66 1 44 20 67 1 45 21 22 1 46 21 68 1 47 21 69 1 48 22 23 1 49 22 70 1 50 22 71 1 51 23 24 1 52 23 72 1 53 23 73 1 54 24 25 1 55 24 74 1 56 24 75 1 57 25 26 1 58 25 76 1 59 25 77 1 60 26 27 1 61 26 78 1 62 26 79 1 63 27 80 1 64 27 81 1 65 27 82 1 66 28 29 2 67 28 30 1 68 30 31 1 69 30 83 1 70 30 84 1 71 31 32 1 72 31 85 1 73 31 86 1 74 32 33 1 75 32 87 1 76 32 88 1 77 33 34 1 78 33 89 1 79 33 90 1 80 34 35 1 81 34 91 1 82 34 92 1 83 35 36 1 84 35 93 1 85 35 94 1 86 36 37 1 87 36 95 1 88 36 96 1 89 37 38 1 90 37 97 1 91 37 98 1 92 38 39 1 93 38 99 1 94 38 100 1 95 39 40 1 96 39 101 1 97 39 102 1 98 40 41 1 99 40 103 1 100 40 104 1 101 41 42 1 102 41 105 1 103 41 106 1 104 42 43 1 105 42 107 1 106 42 108 1 107 43 44 1 108 43 109 1 109 43 110 1 110 44 111 1 111 44 112 1 112 44 113 1