@MOLECULE DB04065 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.2014 0.4729 3.2597 O.2 1 noname -0.3011 2 C1 0.2389 -0.5679 2.6242 C.2 1 noname 0.0360 3 N1 -0.1376 -0.5832 1.3696 N.3 1 noname -0.0713 4 C2 -0.0101 0.5603 0.4866 C.3 1 noname 0.0171 5 C3 -0.7262 -1.7527 0.7247 C.3 1 noname 0.0171 6 C4 1.2036 1.3581 0.9341 C.3 1 noname -0.0370 7 C5 -1.2022 1.4984 0.6273 C.3 1 noname -0.0370 8 C6 -0.6890 -2.9433 1.6586 C.3 1 noname -0.0370 9 C7 0.1710 -2.5028 -0.2598 C.3 1 noname -0.0370 10 C8 0.9183 2.7217 0.3155 C.3 1 noname -0.0517 11 C9 -0.6122 2.8747 0.3284 C.3 1 noname -0.0517 12 C10 0.3051 -3.6566 0.7348 C.3 1 noname -0.0503 13 H1 0.5949 -1.4497 3.1568 H 1 noname 0.1233 14 H2 0.0626 0.1540 -0.5222 H 1 noname 0.0472 15 H3 -1.6445 -1.2875 0.3664 H 1 noname 0.0472 16 H4 1.1691 1.4571 2.0191 H 1 noname 0.0282 17 H5 2.0872 0.9387 0.4530 H 1 noname 0.0282 18 H6 -1.9147 1.2578 -0.1618 H 1 noname 0.0282 19 H7 -1.5191 1.4860 1.6701 H 1 noname 0.0282 20 H8 -0.2138 -2.6731 2.6017 H 1 noname 0.0282 21 H9 -1.6507 -3.4563 1.6603 H 1 noname 0.0282 22 H10 -0.3963 -2.8145 -1.1368 H 1 noname 0.0282 23 H11 1.1236 -1.9872 -0.3820 H 1 noname 0.0282 24 H12 1.3325 3.4763 0.9840 H 1 noname 0.0267 25 H13 1.2385 2.6810 -0.7256 H 1 noname 0.0267 26 H14 -0.9209 3.1440 -0.6817 H 1 noname 0.0267 27 H15 -0.8674 3.5225 1.1671 H 1 noname 0.0267 28 H16 1.3017 -3.6747 1.1758 H 1 noname 0.0268 29 H17 -0.1281 -4.5708 0.3291 H 1 noname 0.0268 @BOND 1 1 2 2 2 2 3 1 3 3 4 1 4 3 5 1 5 4 6 1 6 4 7 1 7 5 8 1 8 5 9 1 9 6 10 1 10 7 11 1 11 8 12 1 12 9 12 1 13 10 11 1 14 2 13 1 15 4 14 1 16 5 15 1 17 6 16 1 18 6 17 1 19 7 18 1 20 7 19 1 21 8 20 1 22 8 21 1 23 9 22 1 24 9 23 1 25 10 24 1 26 10 25 1 27 11 26 1 28 11 27 1 29 12 28 1 30 12 29 1 @SUBSTRUCTURE 1 noname 1