@MOLECULE DB02914 48 48 1 SMALL USER_CHARGES @ATOM 1 C1 1.4302 -1.9084 -0.4759 C.2 1 noname -0.0504 2 C2 -0.0151 -1.7498 -0.2490 C.2 1 noname -0.0576 3 C3 1.9908 -3.0925 -0.7049 C.2 1 noname -0.0531 4 C4 2.2567 -0.5864 -0.4281 C.3 1 noname -0.0098 5 C5 -0.5613 -0.6472 0.3028 C.2 1 noname -0.0700 6 C6 -0.8840 -2.8186 -0.6329 C.3 1 noname -0.0398 7 C7 3.3029 -3.1797 -0.9038 C.2 1 noname -0.0558 8 C8 1.7449 0.4174 0.6525 C.3 1 noname -0.0405 9 C9 2.2256 0.0845 -1.8028 C.3 1 noname -0.0558 10 C10 3.7429 -0.9010 -0.2459 C.3 1 noname -0.0558 11 C11 0.1916 0.5357 0.7433 C.3 1 noname -0.0336 12 C12 3.8635 -4.3639 -1.1329 C.2 1 noname -0.0559 13 C13 5.1757 -4.4511 -1.3318 C.2 1 noname -0.0578 14 C14 3.0555 -5.5432 -1.1654 C.3 1 noname -0.0398 15 C15 5.9955 -3.5781 -0.7532 C.2 1 noname -0.0595 16 C16 7.3076 -3.6654 -0.9521 C.2 1 noname -0.0585 17 C17 8.1274 -2.7924 -0.3736 C.2 1 noname -0.0603 18 C18 9.4395 -2.8796 -0.5724 C.2 1 noname -0.0719 19 C19 7.5980 -1.7599 0.4623 C.3 1 noname -0.0398 20 C20 10.0001 -4.0637 -0.8015 C.2 1 noname -0.0866 21 H1 1.3748 -3.9914 -0.7297 H 1 noname 0.0625 22 H2 -1.6453 -0.7143 0.3956 H 1 noname 0.0578 23 H3 -1.2788 -3.3043 0.2595 H 1 noname 0.0279 24 H4 -1.7084 -2.4218 -1.2254 H 1 noname 0.0279 25 H5 -0.3272 -3.5446 -1.2254 H 1 noname 0.0279 26 H6 3.9189 -2.2808 -0.8791 H 1 noname 0.0625 27 H7 2.0655 0.0082 1.6105 H 1 noname 0.0278 28 H8 2.0968 1.3986 0.3338 H 1 noname 0.0278 29 H9 2.2080 -0.6798 -2.5798 H 1 noname 0.0239 30 H10 1.3336 0.7056 -1.8839 H 1 noname 0.0239 31 H11 3.1131 0.7056 -1.9242 H 1 noname 0.0239 32 H12 3.9761 -0.9503 0.8177 H 1 noname 0.0239 33 H13 3.9714 -1.8590 -0.7128 H 1 noname 0.0239 34 H14 4.3400 -0.1176 -0.7128 H 1 noname 0.0239 35 H15 -0.1033 1.3175 0.0433 H 1 noname 0.0310 36 H16 -0.0529 0.6308 1.8012 H 1 noname 0.0310 37 H17 5.5792 -5.2381 -1.9689 H 1 noname 0.0625 38 H18 2.8370 -5.8621 -0.1462 H 1 noname 0.0279 39 H19 2.1226 -5.3302 -1.6873 H 1 noname 0.0279 40 H20 3.5909 -6.3363 -1.6873 H 1 noname 0.0279 41 H21 5.5919 -2.7911 -0.1161 H 1 noname 0.0622 42 H22 7.7111 -4.4523 -1.5893 H 1 noname 0.0625 43 H23 10.0555 -1.9807 -0.5477 H 1 noname 0.0619 44 H24 7.7376 -2.0321 1.5085 H 1 noname 0.0279 45 H25 8.1184 -0.8243 0.2578 H 1 noname 0.0279 46 H26 6.5345 -1.6364 0.2578 H 1 noname 0.0279 47 H27 9.3767 -4.9529 -0.8954 H 1 noname 0.0538 48 H28 11.0830 -4.1450 -0.8954 H 1 noname 0.0538 @BOND 1 1 2 1 2 1 3 2 3 1 4 1 4 2 5 2 5 2 6 1 6 3 7 1 7 4 8 1 8 4 9 1 9 4 10 1 10 5 11 1 11 7 12 2 12 8 11 1 13 12 13 1 14 12 14 1 15 13 15 2 16 15 16 1 17 16 17 2 18 17 18 1 19 17 19 1 20 18 20 2 21 3 21 1 22 5 22 1 23 6 23 1 24 6 24 1 25 6 25 1 26 7 26 1 27 8 27 1 28 8 28 1 29 9 29 1 30 9 30 1 31 9 31 1 32 10 32 1 33 10 33 1 34 10 34 1 35 11 35 1 36 11 36 1 37 13 37 1 38 14 38 1 39 14 39 1 40 14 40 1 41 15 41 1 42 16 42 1 43 18 43 1 44 19 44 1 45 19 45 1 46 19 46 1 47 20 47 1 48 20 48 1 @SUBSTRUCTURE 1 noname 1