@MOLECULE 119057578 44 46 1 SMALL USER_CHARGES @ATOM 1 C1 -1.1973 -0.6072 1.0609 C.3 1 noname -0.0316 2 C2 -2.0644 0.6784 0.8514 C.3 1 noname -0.0380 3 C3 -0.8926 -1.4035 -0.3044 C.3 1 noname 0.0147 4 C4 -1.8813 -1.5081 2.1662 C.3 1 noname -0.0496 5 C5 -1.5695 1.5833 -0.3500 C.3 1 noname -0.0501 6 C6 -2.3503 1.4498 2.1981 C.3 1 noname -0.0501 7 C7 -1.0630 -2.9676 -0.2380 C.3 1 noname -0.0461 8 C8 -1.2560 -2.9132 2.3956 C.3 1 noname -0.0530 9 C9 -0.6061 -3.5286 1.1323 C.3 1 noname -0.0527 10 C10 -1.6500 3.1092 -0.1199 C.3 1 noname -0.0530 11 C11 -1.2911 2.5265 2.4600 C.3 1 noname -0.0530 12 C12 -1.2185 3.5833 1.3111 C.3 1 noname -0.0533 13 C13 0.4354 -1.0925 -0.9708 C.2 1 noname -0.0560 14 C14 1.6663 -1.0010 -0.2107 C.2 1 noname -0.0630 15 C15 0.4878 -0.9518 -2.4116 C.2 1 noname -0.0630 16 C16 2.9161 -0.8114 -0.8673 C.2 1 noname -0.0628 17 C17 1.7288 -0.7742 -3.0852 C.2 1 noname -0.0628 18 C18 2.9219 -0.7167 -2.2969 C.2 1 noname -0.0682 19 H1 -0.2606 -0.2632 1.5087 H 1 noname 0.0312 20 H2 -3.0385 0.3072 0.5329 H 1 noname 0.0306 21 H3 -1.6908 -1.1606 -1.0227 H 1 noname 0.0355 22 H4 -2.9427 -1.6149 1.9422 H 1 noname 0.0270 23 H5 -1.8768 -0.9651 3.1113 H 1 noname 0.0270 24 H6 -2.1217 1.3223 -1.2528 H 1 noname 0.0269 25 H7 -0.5086 1.3611 -0.4647 H 1 noname 0.0269 26 H8 -3.3355 1.9137 2.1490 H 1 noname 0.0269 27 H9 -2.3754 0.7311 3.0172 H 1 noname 0.0269 28 H10 -2.1083 -3.2267 -0.4063 H 1 noname 0.0273 29 H11 -0.5117 -3.4428 -1.0494 H 1 noname 0.0273 30 H12 -2.0179 -3.5916 2.7795 H 1 noname 0.0267 31 H13 -0.4641 -2.8405 3.1411 H 1 noname 0.0267 32 H14 -0.7400 -4.6102 1.1450 H 1 noname 0.0267 33 H15 0.4515 -3.2745 1.2041 H 1 noname 0.0267 34 H16 -2.6627 3.4550 -0.3272 H 1 noname 0.0266 35 H17 -1.0414 3.6188 -0.8669 H 1 noname 0.0266 36 H18 -1.5089 3.0288 3.4025 H 1 noname 0.0266 37 H19 -0.3298 2.0152 2.5110 H 1 noname 0.0266 38 H20 -1.7954 4.4647 1.5912 H 1 noname 0.0266 39 H21 -0.1729 3.8881 1.2686 H 1 noname 0.0266 40 H22 1.6372 -1.0732 0.8063 H 1 noname 0.0625 41 H23 -0.3773 -0.9805 -2.9512 H 1 noname 0.0625 42 H24 3.7832 -0.7450 -0.3343 H 1 noname 0.0622 43 H25 1.7669 -0.6903 -4.1011 H 1 noname 0.0622 44 H26 3.8162 -0.6031 -2.7740 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 19 1 5 2 5 1 6 2 6 1 7 2 20 1 8 3 7 1 9 3 13 1 10 3 21 1 11 4 8 1 12 4 22 1 13 4 23 1 14 5 10 1 15 5 24 1 16 5 25 1 17 6 11 1 18 6 26 1 19 6 27 1 20 7 9 1 21 7 28 1 22 7 29 1 23 8 9 1 24 8 30 1 25 8 31 1 26 9 32 1 27 9 33 1 28 10 12 1 29 10 34 1 30 10 35 1 31 11 12 1 32 11 36 1 33 11 37 1 34 12 38 1 35 12 39 1 36 13 14 2 37 13 15 1 38 14 16 1 39 14 40 1 40 15 17 2 41 15 41 1 42 16 18 2 43 16 42 1 44 17 18 1 45 17 43 1 46 18 44 1 @SUBSTRUCTURE 1 noname 1