@MOLECULE daphniyunnine d 52 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6867 -2.1206 -0.7394 O.3 1 UNL1111111111 -0.5631 2 O 0.1189 -1.6196 -1.6349 O.2 1 UNL1111111111 -0.4761 3 O -4.2306 1.7782 -0.9889 O.2 1 UNL1111111111 -0.4339 4 N 3.0144 1.1035 0.8333 N.3 1 UNL1111111111 -0.4378 5 C 0.6051 0.5598 1.1981 C.3 1 UNL1111111111 0.0325 6 C -0.1771 -0.5729 0.4857 C.3 1 UNL1111111111 -0.0783 7 C 2.0996 0.1462 1.5063 C.3 1 UNL1111111111 0.0309 8 C 0.7198 1.9084 0.4060 C.3 1 UNL1111111111 -0.1554 9 C -1.4893 -0.1140 -0.0428 C.2 1 UNL1111111111 -0.0671 10 C 2.1281 -1.4412 -0.3928 C.3 1 UNL1111111111 -0.2170 11 C 2.4355 -1.2919 1.0957 C.3 1 UNL1111111111 -0.3137 12 C -0.5866 -1.7580 1.4493 C.3 1 UNL1111111111 -0.2633 13 C 2.2149 2.3008 0.5089 C.3 1 UNL1111111111 -0.1321 14 C 0.6461 -1.2278 -0.6223 C.2 1 UNL1111111111 0.4620 15 C -2.5946 -1.1339 0.2567 C.3 1 UNL1111111111 0.3100 16 C 2.9116 -0.4018 -1.2335 C.3 1 UNL1111111111 -0.1130 17 C 0.2553 1.9433 -1.0534 C.3 1 UNL1111111111 -0.2824 18 C -2.1269 -1.7830 1.5602 C.3 1 UNL1111111111 -0.3160 19 C -0.0886 0.8930 2.5325 C.3 1 UNL1111111111 -0.4633 20 C 3.7376 0.5329 -0.3187 C.3 1 UNL1111111111 -0.1183 21 C -1.9837 0.9995 -0.5928 C.2 1 UNL1111111111 -0.1156 22 C -1.2615 2.1545 -1.1492 C.3 1 UNL1111111111 -0.2560 23 C -3.8998 -0.3267 0.1706 C.3 1 UNL1111111111 -0.4247 24 C -3.4843 0.9453 -0.5589 C.2 1 UNL1111111111 0.4791 25 C 3.8411 -1.0971 -2.2287 C.3 1 UNL1111111111 -0.4526 26 H 2.2963 0.2757 2.6024 H 1 UNL1111111111 0.1479 27 H 0.1184 2.6816 0.9466 H 1 UNL1111111111 0.1513 28 H 2.3913 -2.4736 -0.7341 H 1 UNL1111111111 0.1754 29 H 1.8857 -2.0263 1.7069 H 1 UNL1111111111 0.1474 30 H 3.5044 -1.5065 1.2994 H 1 UNL1111111111 0.1626 31 H -0.1189 -1.6544 2.4388 H 1 UNL1111111111 0.1478 32 H -0.2344 -2.7224 1.0407 H 1 UNL1111111111 0.1467 33 H 2.5830 2.8124 -0.3983 H 1 UNL1111111111 0.1364 34 H 2.3659 3.0141 1.3512 H 1 UNL1111111111 0.1436 35 H 2.1884 0.2268 -1.8111 H 1 UNL1111111111 0.1462 36 H 0.5424 1.0233 -1.5961 H 1 UNL1111111111 0.1496 37 H 0.7665 2.7680 -1.5897 H 1 UNL1111111111 0.1437 38 H -2.5125 -2.8125 1.6551 H 1 UNL1111111111 0.1662 39 H -2.4787 -1.2256 2.4414 H 1 UNL1111111111 0.1476 40 H -0.0323 0.0708 3.2532 H 1 UNL1111111111 0.1469 41 H 0.3721 1.7639 3.0145 H 1 UNL1111111111 0.1509 42 H -1.1502 1.1210 2.3758 H 1 UNL1111111111 0.1585 43 H 4.6077 -0.0227 0.1034 H 1 UNL1111111111 0.1462 44 H 4.1743 1.3584 -0.9195 H 1 UNL1111111111 0.1374 45 H -1.5600 2.3038 -2.2136 H 1 UNL1111111111 0.1710 46 H -1.5634 3.0948 -0.6384 H 1 UNL1111111111 0.1615 47 H -4.3401 -0.1023 1.1525 H 1 UNL1111111111 0.1743 48 H -4.6747 -0.8778 -0.3995 H 1 UNL1111111111 0.2019 49 H 4.3966 -0.3698 -2.8319 H 1 UNL1111111111 0.1471 50 H 4.5741 -1.7372 -1.7257 H 1 UNL1111111111 0.1458 51 H 3.2726 -1.7271 -2.9263 H 1 UNL1111111111 0.1600 52 H -1.8520 -2.1710 -1.2642 H 1 UNL1111111111 0.3515 @BOND 1 1 15 1 2 1 52 1 3 2 14 2 4 3 24 2 5 4 7 1 6 4 13 1 7 4 20 1 8 5 6 1 9 5 7 1 10 5 8 1 11 5 19 1 12 6 9 1 13 6 12 1 14 6 14 1 15 7 11 1 16 7 26 1 17 8 13 1 18 8 17 1 19 8 27 1 20 9 15 1 21 9 21 2 22 10 11 1 23 10 14 1 24 10 16 1 25 10 28 1 26 11 29 1 27 11 30 1 28 12 18 1 29 12 31 1 30 12 32 1 31 13 33 1 32 13 34 1 33 15 18 1 34 15 23 1 35 16 20 1 36 16 25 1 37 16 35 1 38 17 22 1 39 17 36 1 40 17 37 1 41 18 38 1 42 18 39 1 43 19 40 1 44 19 41 1 45 19 42 1 46 20 43 1 47 20 44 1 48 21 22 1 49 21 24 1 50 22 45 1 51 22 46 1 52 23 24 1 53 23 47 1 54 23 48 1 55 25 49 1 56 25 50 1 57 25 51 1