@MOLECULE 57161740 40 41 1 SMALL USER_CHARGES @ATOM 1 C1 0.2882 -1.8650 -0.7935 C.3 1 noname 0.0104 2 C2 0.4356 3.2867 -3.2284 C.3 1 noname 0.0393 3 C3 0.3260 -0.5454 -1.4172 C.2 1 noname -0.0593 4 C4 0.3979 1.9671 -2.6047 C.2 1 noname -0.0600 5 C5 1.6427 -2.5533 -0.9739 C.3 1 noname -0.0495 6 C6 -0.8352 0.0076 -1.9445 C.2 1 noname -0.0630 7 C7 1.5231 0.1578 -1.4837 C.2 1 noname -0.0630 8 C8 -0.0129 -1.7152 0.6991 C.3 1 noname -0.0584 9 C9 -0.9188 3.9750 -3.0480 C.2 1 noname -0.0535 10 C10 -0.7992 1.2638 -2.5382 C.2 1 noname -0.0596 11 C11 1.5590 1.4141 -2.0775 C.2 1 noname -0.0596 12 C12 0.7230 3.1437 -4.6527 C.3 1 noname -0.0543 13 C13 1.9439 -2.7031 -2.4665 C.3 1 noname -0.0648 14 C14 -2.0693 3.3916 -3.5658 C.2 1 noname -0.0591 15 C15 -0.9988 5.1837 -2.3663 C.2 1 noname -0.0591 16 C16 -3.2998 4.0170 -3.4019 C.2 1 noname -0.0617 17 C17 -2.2294 5.8090 -2.2024 C.2 1 noname -0.0617 18 C18 -3.3799 5.2257 -2.7202 C.2 1 noname -0.0654 19 H1 -0.4904 -2.4665 -1.2627 H 1 noname 0.0349 20 H2 1.2142 3.8881 -2.7592 H 1 noname 0.0399 21 H3 1.6145 -3.5384 -0.5083 H 1 noname 0.0270 22 H4 2.4213 -1.9518 -0.5048 H 1 noname 0.0270 23 H5 -1.7136 -0.5085 -1.8956 H 1 noname 0.0625 24 H6 2.3752 -0.2479 -1.0968 H 1 noname 0.0625 25 H7 -0.0411 -2.7003 1.1647 H 1 noname 0.0236 26 H8 -0.9779 -1.2248 0.8276 H 1 noname 0.0236 27 H9 0.7656 -1.1137 1.1682 H 1 noname 0.0236 28 H10 -1.6513 1.6696 -2.9251 H 1 noname 0.0625 29 H11 2.4375 1.9302 -2.1263 H 1 noname 0.0625 30 H12 0.7512 4.1289 -5.1183 H 1 noname 0.0240 31 H13 -0.0556 2.5422 -5.1219 H 1 noname 0.0240 32 H14 1.6880 2.6534 -4.7812 H 1 noname 0.0240 33 H15 2.9088 -3.1935 -2.5950 H 1 noname 0.0230 34 H16 1.1653 -3.3046 -2.9357 H 1 noname 0.0230 35 H17 1.9720 -1.7180 -2.9321 H 1 noname 0.0230 36 H18 -2.0106 2.5047 -4.0661 H 1 noname 0.0625 37 H19 -0.1546 5.6118 -1.9863 H 1 noname 0.0625 38 H20 -4.1441 3.5889 -3.7819 H 1 noname 0.0622 39 H21 -2.2881 6.6960 -1.7021 H 1 noname 0.0622 40 H22 -4.2828 5.6845 -2.5999 H 1 noname 0.0622 @BOND 1 1 3 1 2 1 5 1 3 1 8 1 4 1 19 1 5 2 4 1 6 2 9 1 7 2 12 1 8 2 20 1 9 3 6 2 10 3 7 1 11 4 10 2 12 4 11 1 13 5 13 1 14 5 21 1 15 5 22 1 16 6 10 1 17 6 23 1 18 7 11 2 19 7 24 1 20 8 25 1 21 8 26 1 22 8 27 1 23 9 14 2 24 9 15 1 25 10 28 1 26 11 29 1 27 12 30 1 28 12 31 1 29 12 32 1 30 13 33 1 31 13 34 1 32 13 35 1 33 14 16 1 34 14 36 1 35 15 17 2 36 15 37 1 37 16 18 2 38 16 38 1 39 17 18 1 40 17 39 1 41 18 40 1 @SUBSTRUCTURE 1 noname 1