@MOLECULE (2r)-3-(phosphonooxy)-1,2-propanediyl diheptanoate 59 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9685 -0.2415 2.3759 O.2 1 UNL1111111111 -0.5412 2 C -2.5198 -0.4610 1.2755 C.2 1 UNL1111111111 0.5976 3 C -3.2919 -0.8232 0.0452 C.3 1 UNL1111111111 -0.3469 4 C -4.6262 -1.4627 0.4501 C.3 1 UNL1111111111 -0.2588 5 C -5.5637 -1.6254 -0.7534 C.3 1 UNL1111111111 -0.2723 6 C -6.8966 -2.2410 -0.3028 C.3 1 UNL1111111111 -0.2710 7 C -7.8709 -2.4065 -1.4777 C.3 1 UNL1111111111 -0.2531 8 C -9.1859 -3.0301 -1.0062 C.3 1 UNL1111111111 -0.4396 9 O -1.1875 -0.4035 1.0131 O.3 1 UNL1111111111 -0.3598 10 C -0.3638 -0.1450 2.1472 C.3 1 UNL1111111111 -0.0669 11 C 0.8672 0.6660 1.7480 C.3 1 UNL1111111111 0.0752 12 C 0.6391 2.0271 1.0675 C.3 1 UNL1111111111 -0.0637 13 O -0.1686 1.7091 -0.0866 O.3 1 UNL1111111111 -0.2331 14 P -0.6879 2.9189 -1.0028 P.3 1 UNL1111111111 0.3356 15 O -1.7227 3.7455 -0.1176 O.3 1 UNL1111111111 -0.3196 16 O 0.2795 3.7782 -1.6610 O.2 1 UNL1111111111 -0.2633 17 O -1.6847 2.0448 -1.9079 O.3 1 UNL1111111111 -0.3714 18 O 1.6291 -0.2006 0.9022 O.3 1 UNL1111111111 -0.4058 19 C 2.9662 0.0461 0.8655 C.2 1 UNL1111111111 0.6077 20 O 3.4575 0.9466 1.4990 O.2 1 UNL1111111111 -0.5301 21 C 3.6687 -0.9336 -0.0195 C.3 1 UNL1111111111 -0.3514 22 C 5.1779 -0.8435 0.2301 C.3 1 UNL1111111111 -0.2567 23 C 5.9610 -1.7941 -0.6788 C.3 1 UNL1111111111 -0.2727 24 C 7.4664 -1.5942 -0.4535 C.3 1 UNL1111111111 -0.2702 25 C 8.2935 -2.5053 -1.3688 C.3 1 UNL1111111111 -0.2534 26 C 9.7897 -2.2780 -1.1492 C.3 1 UNL1111111111 -0.4395 27 H -3.4529 0.0946 -0.5652 H 1 UNL1111111111 0.1890 28 H -2.7044 -1.5028 -0.6066 H 1 UNL1111111111 0.1770 29 H -4.4458 -2.4408 0.9349 H 1 UNL1111111111 0.1438 30 H -5.1201 -0.8406 1.2274 H 1 UNL1111111111 0.1603 31 H -5.7407 -0.6442 -1.2312 H 1 UNL1111111111 0.1389 32 H -5.0931 -2.2608 -1.5248 H 1 UNL1111111111 0.1366 33 H -6.7148 -3.2232 0.1731 H 1 UNL1111111111 0.1379 34 H -7.3606 -1.6101 0.4787 H 1 UNL1111111111 0.1396 35 H -8.0675 -1.4266 -1.9511 H 1 UNL1111111111 0.1337 36 H -7.4141 -3.0354 -2.2644 H 1 UNL1111111111 0.1327 37 H -9.0242 -4.0203 -0.5635 H 1 UNL1111111111 0.1429 38 H -9.6761 -2.4074 -0.2493 H 1 UNL1111111111 0.1436 39 H -9.8902 -3.1535 -1.8362 H 1 UNL1111111111 0.1406 40 H -0.9330 0.3912 2.9368 H 1 UNL1111111111 0.1619 41 H -0.0683 -1.1440 2.5262 H 1 UNL1111111111 0.1438 42 H 1.4653 0.8595 2.6835 H 1 UNL1111111111 0.1528 43 H 0.1384 2.7205 1.7752 H 1 UNL1111111111 0.1387 44 H 1.6265 2.4552 0.7733 H 1 UNL1111111111 0.1602 45 H -2.4627 3.1154 0.2074 H 1 UNL1111111111 0.3106 46 H -1.2256 1.8407 -2.7992 H 1 UNL1111111111 0.3256 47 H 3.2920 -1.9627 0.1547 H 1 UNL1111111111 0.1764 48 H 3.4270 -0.7110 -1.0802 H 1 UNL1111111111 0.1829 49 H 5.5217 0.2008 0.0720 H 1 UNL1111111111 0.1586 50 H 5.4002 -1.0609 1.2937 H 1 UNL1111111111 0.1485 51 H 5.6793 -2.8441 -0.4770 H 1 UNL1111111111 0.1369 52 H 5.7093 -1.6057 -1.7399 H 1 UNL1111111111 0.1386 53 H 7.7368 -0.5362 -0.6364 H 1 UNL1111111111 0.1402 54 H 7.7216 -1.7918 0.6042 H 1 UNL1111111111 0.1382 55 H 8.0402 -3.5649 -1.1781 H 1 UNL1111111111 0.1328 56 H 8.0333 -2.3176 -2.4276 H 1 UNL1111111111 0.1337 57 H 10.0760 -1.2452 -1.3784 H 1 UNL1111111111 0.1438 58 H 10.0816 -2.4807 -0.1152 H 1 UNL1111111111 0.1431 59 H 10.3859 -2.9333 -1.7958 H 1 UNL1111111111 0.1407 @BOND 1 2 1 2 2 2 9 1 3 3 2 1 4 3 27 1 5 3 28 1 6 4 3 1 7 4 5 1 8 4 29 1 9 4 30 1 10 5 31 1 11 5 32 1 12 6 5 1 13 6 7 1 14 6 33 1 15 6 34 1 16 7 35 1 17 7 36 1 18 8 7 1 19 8 37 1 20 8 38 1 21 8 39 1 22 9 10 1 23 10 40 1 24 10 41 1 25 11 10 1 26 11 12 1 27 11 42 1 28 12 13 1 29 12 43 1 30 12 44 1 31 13 14 1 32 14 17 1 33 14 15 1 34 15 45 1 35 16 14 2 36 17 46 1 37 18 11 1 38 19 18 1 39 20 19 2 40 21 19 1 41 21 47 1 42 21 48 1 43 22 21 1 44 22 49 1 45 22 50 1 46 23 22 1 47 23 51 1 48 23 52 1 49 24 23 1 50 24 53 1 51 24 54 1 52 25 24 1 53 25 55 1 54 25 56 1 55 26 25 1 56 26 57 1 57 26 58 1 58 26 59 1