@MOLECULE spatol 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7415 2.9933 -1.1371 O.3 1 UNL1111111111 -0.5508 2 O 1.8432 0.1927 -0.4993 O.3 1 UNL1111111111 -0.3481 3 O 5.2120 0.6413 0.4074 O.3 1 UNL1111111111 -0.3647 4 C -2.8583 0.6018 -0.6201 C.3 1 UNL1111111111 -0.0197 5 C -1.4706 -0.0097 -0.2113 C.3 1 UNL1111111111 -0.1505 6 C -2.1730 -0.9385 0.8165 C.3 1 UNL1111111111 -0.1501 7 C -3.5686 -0.3749 0.3750 C.3 1 UNL1111111111 -0.1359 8 C -0.6422 1.1406 0.3849 C.3 1 UNL1111111111 -0.1299 9 C -2.8713 2.0556 -0.0963 C.3 1 UNL1111111111 0.1427 10 C -2.1922 -2.4449 0.5314 C.3 1 UNL1111111111 -0.0883 11 C -4.3564 -1.5420 -0.2157 C.3 1 UNL1111111111 -0.2743 12 C -1.6776 2.1723 0.8750 C.3 1 UNL1111111111 -0.3436 13 C -3.3258 -2.6521 -0.5005 C.3 1 UNL1111111111 -0.2753 14 C -3.2247 0.5069 -2.0780 C.3 1 UNL1111111111 -0.4404 15 C 0.3251 0.6458 1.4114 C.2 1 UNL1111111111 0.0141 16 C 1.4716 -0.1140 0.8491 C.3 1 UNL1111111111 -0.0148 17 C -0.8583 -3.0054 0.0511 C.3 1 UNL1111111111 -0.4522 18 C 2.7542 0.5821 0.5341 C.3 1 UNL1111111111 -0.0006 19 C 4.0420 -0.1653 0.5806 C.3 1 UNL1111111111 -0.0627 20 C 4.9006 -0.2800 -0.6462 C.3 1 UNL1111111111 0.2339 21 C 0.2254 0.8096 2.7314 C.2 1 UNL1111111111 -0.3492 22 C 5.8488 -1.4394 -0.7696 C.3 1 UNL1111111111 -0.4759 23 C 4.4590 0.3466 -1.9366 C.3 1 UNL1111111111 -0.4702 24 H -0.9357 -0.5390 -1.0073 H 1 UNL1111111111 0.1514 25 H -1.8902 -0.7239 1.8548 H 1 UNL1111111111 0.1405 26 H -4.1308 0.1427 1.1609 H 1 UNL1111111111 0.1320 27 H -0.0518 1.6116 -0.4487 H 1 UNL1111111111 0.1623 28 H -3.8408 2.3453 0.3563 H 1 UNL1111111111 0.1416 29 H -2.4760 -2.9687 1.4772 H 1 UNL1111111111 0.1306 30 H -4.9129 -1.2549 -1.1211 H 1 UNL1111111111 0.1429 31 H -5.1126 -1.8960 0.5068 H 1 UNL1111111111 0.1343 32 H -2.0078 1.9594 1.9047 H 1 UNL1111111111 0.1503 33 H -1.2678 3.1946 0.8831 H 1 UNL1111111111 0.1585 34 H -3.7685 -3.6543 -0.4186 H 1 UNL1111111111 0.1295 35 H -2.9341 -2.5645 -1.5276 H 1 UNL1111111111 0.1385 36 H -2.5223 1.0652 -2.7105 H 1 UNL1111111111 0.1482 37 H -4.2234 0.9262 -2.2626 H 1 UNL1111111111 0.1581 38 H -3.2192 -0.5300 -2.4357 H 1 UNL1111111111 0.1490 39 H 1.4648 -1.1885 1.0702 H 1 UNL1111111111 0.1634 40 H -0.5400 -2.5557 -0.8971 H 1 UNL1111111111 0.1504 41 H -0.9190 -4.0881 -0.1066 H 1 UNL1111111111 0.1438 42 H -0.0656 -2.8184 0.7839 H 1 UNL1111111111 0.1418 43 H 2.8454 1.6681 0.6686 H 1 UNL1111111111 0.1749 44 H -1.9045 2.8610 -1.6244 H 1 UNL1111111111 0.3144 45 H 4.1263 -0.9042 1.3832 H 1 UNL1111111111 0.1587 46 H 0.9503 0.4297 3.4346 H 1 UNL1111111111 0.1516 47 H -0.5782 1.3378 3.2178 H 1 UNL1111111111 0.1532 48 H 6.7339 -1.1686 -1.3623 H 1 UNL1111111111 0.1642 49 H 5.3661 -2.2942 -1.2610 H 1 UNL1111111111 0.1610 50 H 6.2182 -1.7772 0.2083 H 1 UNL1111111111 0.1622 51 H 5.2717 0.3984 -2.6711 H 1 UNL1111111111 0.1563 52 H 4.0947 1.3742 -1.7846 H 1 UNL1111111111 0.1713 53 H 3.6292 -0.2214 -2.3843 H 1 UNL1111111111 0.1718 @BOND 1 1 9 1 2 1 44 1 3 2 16 1 4 2 18 1 5 3 19 1 6 3 20 1 7 4 5 1 8 4 7 1 9 4 9 1 10 4 14 1 11 5 6 1 12 5 8 1 13 5 24 1 14 6 7 1 15 6 10 1 16 6 25 1 17 7 11 1 18 7 26 1 19 8 12 1 20 8 15 1 21 8 27 1 22 9 12 1 23 9 28 1 24 10 13 1 25 10 17 1 26 10 29 1 27 11 13 1 28 11 30 1 29 11 31 1 30 12 32 1 31 12 33 1 32 13 34 1 33 13 35 1 34 14 36 1 35 14 37 1 36 14 38 1 37 15 16 1 38 15 21 2 39 16 18 1 40 16 39 1 41 17 40 1 42 17 41 1 43 17 42 1 44 18 19 1 45 18 43 1 46 19 20 1 47 19 45 1 48 20 22 1 49 20 23 1 50 21 46 1 51 21 47 1 52 22 48 1 53 22 49 1 54 22 50 1 55 23 51 1 56 23 52 1 57 23 53 1