@MOLECULE protectin d1 58 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3137 -3.5019 0.7110 O.3 1 UNL1111111111 -0.5536 2 O 6.0601 1.2087 0.0654 O.3 1 UNL1111111111 -0.5688 3 O 0.4483 1.8895 1.3482 O.3 1 UNL1111111111 -0.5689 4 O -0.8308 0.2491 2.1463 O.2 1 UNL1111111111 -0.5292 5 C -2.8826 -2.0898 -1.0633 C.3 1 UNL1111111111 -0.3070 6 C -1.9015 -2.2789 0.1085 C.3 1 UNL1111111111 0.1512 7 C 4.8247 0.5106 0.1434 C.3 1 UNL1111111111 0.1613 8 C 3.9422 0.8699 -1.0689 C.3 1 UNL1111111111 -0.3387 9 C -4.2157 -1.6789 -0.5330 C.2 1 UNL1111111111 -0.1502 10 C -4.1241 0.7025 -1.3378 C.3 1 UNL1111111111 -0.2846 11 C -4.7626 -0.4664 -0.6525 C.2 1 UNL1111111111 -0.1719 12 C -0.4782 -2.4315 -0.3478 C.2 1 UNL1111111111 -0.2164 13 C 2.9557 1.9371 -0.7402 C.2 1 UNL1111111111 -0.2175 14 C 5.2063 -0.9378 0.1255 C.2 1 UNL1111111111 -0.1607 15 C -3.2110 1.6540 1.3805 C.3 1 UNL1111111111 -0.2626 16 C -4.5594 1.9876 -0.7035 C.2 1 UNL1111111111 -0.1459 17 C -4.1564 2.4073 0.4999 C.2 1 UNL1111111111 -0.1750 18 C 1.6752 1.9245 -1.1274 C.2 1 UNL1111111111 -0.1277 19 C -1.8369 2.3332 1.3575 C.3 1 UNL1111111111 -0.3436 20 C 1.0491 0.8339 -1.9337 C.3 1 UNL1111111111 -0.2632 21 C 0.5452 -2.0450 0.4256 C.2 1 UNL1111111111 -0.1538 22 C 4.3519 -1.9313 0.3878 C.2 1 UNL1111111111 -0.1883 23 C 1.9362 -2.2377 0.0423 C.2 1 UNL1111111111 -0.1739 24 C 2.9527 -1.7276 0.7538 C.2 1 UNL1111111111 -0.1384 25 C -0.4475 1.0620 -2.1466 C.3 1 UNL1111111111 -0.4341 26 C -0.7541 1.3565 1.6810 C.2 1 UNL1111111111 0.6588 27 H -2.9812 -3.0523 -1.6125 H 1 UNL1111111111 0.1691 28 H -2.4719 -1.3643 -1.7911 H 1 UNL1111111111 0.1452 29 H -2.0200 -1.4674 0.8670 H 1 UNL1111111111 0.1392 30 H 4.3417 0.7952 1.1076 H 1 UNL1111111111 0.1257 31 H 4.5932 1.1964 -1.9096 H 1 UNL1111111111 0.1706 32 H 3.4393 -0.0457 -1.4458 H 1 UNL1111111111 0.1651 33 H -4.7356 -2.4778 0.0036 H 1 UNL1111111111 0.1597 34 H -3.0148 0.6263 -1.3074 H 1 UNL1111111111 0.1574 35 H -4.3835 0.6840 -2.4187 H 1 UNL1111111111 0.1516 36 H -5.7482 -0.2562 -0.2355 H 1 UNL1111111111 0.1480 37 H -0.3406 -2.9182 -1.3090 H 1 UNL1111111111 0.1555 38 H 3.3543 2.7690 -0.1616 H 1 UNL1111111111 0.1433 39 H 6.2529 -1.1192 -0.1307 H 1 UNL1111111111 0.1727 40 H -3.1275 0.5877 1.0686 H 1 UNL1111111111 0.1746 41 H -3.6019 1.6002 2.4175 H 1 UNL1111111111 0.1555 42 H -5.2566 2.5757 -1.2988 H 1 UNL1111111111 0.1396 43 H -4.5046 3.3523 0.9145 H 1 UNL1111111111 0.1413 44 H 1.0077 2.7471 -0.8608 H 1 UNL1111111111 0.1549 45 H -1.6427 2.7910 0.3605 H 1 UNL1111111111 0.1863 46 H -1.8033 3.1861 2.0688 H 1 UNL1111111111 0.1807 47 H 1.5590 0.7517 -2.9169 H 1 UNL1111111111 0.1486 48 H 1.2063 -0.1509 -1.4357 H 1 UNL1111111111 0.1580 49 H 0.3731 -1.5633 1.3954 H 1 UNL1111111111 0.1705 50 H 4.6670 -2.9764 0.3451 H 1 UNL1111111111 0.1622 51 H -1.7168 -3.7267 1.4526 H 1 UNL1111111111 0.3153 52 H 2.1164 -2.8307 -0.8557 H 1 UNL1111111111 0.1547 53 H 2.7874 -1.1327 1.6549 H 1 UNL1111111111 0.1520 54 H 5.9145 2.1710 0.0029 H 1 UNL1111111111 0.3178 55 H -0.6408 2.0122 -2.6564 H 1 UNL1111111111 0.1439 56 H -0.9824 1.0835 -1.1893 H 1 UNL1111111111 0.1410 57 H -0.8864 0.2651 -2.7577 H 1 UNL1111111111 0.1416 58 H 1.2143 1.2694 1.4312 H 1 UNL1111111111 0.3610 @BOND 1 1 6 1 2 1 51 1 3 2 7 1 4 2 54 1 5 3 26 1 6 3 58 1 7 4 26 2 8 5 6 1 9 5 9 1 10 5 27 1 11 5 28 1 12 6 12 1 13 6 29 1 14 7 8 1 15 7 14 1 16 7 30 1 17 8 13 1 18 8 31 1 19 8 32 1 20 9 11 2 21 9 33 1 22 10 11 1 23 10 16 1 24 10 34 1 25 10 35 1 26 11 36 1 27 12 21 2 28 12 37 1 29 13 18 2 30 13 38 1 31 14 22 2 32 14 39 1 33 15 17 1 34 15 19 1 35 15 40 1 36 15 41 1 37 16 17 2 38 16 42 1 39 17 43 1 40 18 20 1 41 18 44 1 42 19 26 1 43 19 45 1 44 19 46 1 45 20 25 1 46 20 47 1 47 20 48 1 48 21 23 1 49 21 49 1 50 22 24 1 51 22 50 1 52 23 24 2 53 23 52 1 54 24 53 1 55 25 55 1 56 25 56 1 57 25 57 1