@MOLECULE (2r,3s,6r,8s,9s)-2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylenespiro[5.5]undecan-3-ol 42 43 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -2.7819 -1.3722 0.9498 Br 1 UNL111111 -0.1250 2 BR 3.2448 -1.4239 0.0012 Br 1 UNL111111 -0.1817 3 CL 1.1694 2.2224 1.5560 Cl 1 UNL111111 -0.1862 4 O -4.1367 1.2096 0.4853 O.3 1 UNL111111 -0.5400 5 C -0.1677 0.4531 -0.8156 C.3 1 UNL111111 0.0432 6 C -1.3152 -0.4313 -1.4581 C.3 1 UNL111111 0.0771 7 C 0.2501 -0.0920 0.5691 C.3 1 UNL111111 -0.3265 8 C 1.0651 0.4011 -1.7502 C.3 1 UNL111111 -0.2853 9 C -2.6715 -0.3233 -0.7190 C.3 1 UNL111111 -0.1622 10 C -0.7323 1.8518 -0.6685 C.2 1 UNL111111 0.0362 11 C 1.5206 0.5092 1.1440 C.3 1 UNL111111 -0.0317 12 C 2.3300 1.0454 -1.1740 C.3 1 UNL111111 -0.3050 13 C 2.7106 0.5043 0.1937 C.3 1 UNL111111 0.1159 14 C -3.0698 1.1333 -0.4361 C.3 1 UNL111111 0.1452 15 C -1.9443 1.9465 0.2095 C.3 1 UNL111111 -0.3203 16 C -1.5995 0.0788 -2.8930 C.3 1 UNL111111 -0.4744 17 C -0.9103 -1.9065 -1.5791 C.3 1 UNL111111 -0.4671 18 C 3.9260 1.2143 0.7634 C.3 1 UNL111111 -0.4816 19 C -0.2805 2.9408 -1.2939 C.2 1 UNL111111 -0.3645 20 H 0.3702 -1.1964 0.5097 H 1 UNL111111 0.1752 21 H -0.5687 0.0615 1.3054 H 1 UNL111111 0.1785 22 H 0.8275 0.8971 -2.7122 H 1 UNL111111 0.1477 23 H 1.2811 -0.6544 -2.0108 H 1 UNL111111 0.1554 24 H -3.4555 -0.8110 -1.3416 H 1 UNL111111 0.1532 25 H 1.7691 0.0452 2.1274 H 1 UNL111111 0.1655 26 H 3.1648 0.9259 -1.8944 H 1 UNL111111 0.1554 27 H 2.1835 2.1469 -1.0895 H 1 UNL111111 0.1719 28 H -3.4074 1.6159 -1.3861 H 1 UNL111111 0.1244 29 H -1.7443 1.5889 1.2420 H 1 UNL111111 0.1829 30 H -2.2771 2.9946 0.3576 H 1 UNL111111 0.1699 31 H -2.4931 -0.3872 -3.3204 H 1 UNL111111 0.1466 32 H -0.7751 -0.1572 -3.5753 H 1 UNL111111 0.1561 33 H -1.7393 1.1659 -2.9197 H 1 UNL111111 0.1583 34 H -0.5665 -2.3382 -0.6312 H 1 UNL111111 0.1621 35 H -0.0919 -2.0463 -2.2961 H 1 UNL111111 0.1542 36 H -1.7454 -2.5244 -1.9300 H 1 UNL111111 0.1534 37 H 4.8247 1.0671 0.1484 H 1 UNL111111 0.1670 38 H 3.7710 2.3032 0.8187 H 1 UNL111111 0.1744 39 H 4.1721 0.8811 1.7812 H 1 UNL111111 0.1679 40 H 0.5578 2.9666 -1.9673 H 1 UNL111111 0.1475 41 H -0.7207 3.9181 -1.1651 H 1 UNL111111 0.1526 42 H -4.9112 0.6968 0.1838 H 1 UNL111111 0.3139 @BOND 1 32 16 1 2 31 16 1 3 33 16 1 4 16 6 1 5 22 8 1 6 35 17 1 7 23 8 1 8 40 19 1 9 36 17 1 10 26 12 1 11 8 12 1 12 8 5 1 13 17 6 1 14 17 34 1 15 6 5 1 16 6 9 1 17 28 14 1 18 24 9 1 19 19 41 1 20 19 10 2 21 12 27 1 22 12 13 1 23 5 10 1 24 5 7 1 25 9 14 1 26 9 1 1 27 10 15 1 28 14 15 1 29 14 4 1 30 2 13 1 31 37 18 1 32 42 4 1 33 13 18 1 34 13 11 1 35 15 30 1 36 15 29 1 37 20 7 1 38 7 11 1 39 7 21 1 40 18 38 1 41 18 39 1 42 11 3 1 43 11 25 1