@MOLECULE DB01351 34 34 1 SMALL USER_CHARGES @ATOM 1 O1 -1.1807 -1.0418 0.4651 O.2 1 noname -0.2799 2 C1 -0.3092 -0.2048 0.1452 C.2 1 noname 0.0379 3 N1 1.1515 -0.5016 0.2361 N.3 1 noname 0.0838 4 N2 -0.6593 1.1588 -0.3534 N.3 1 noname 0.0838 5 C2 1.9859 0.7038 0.4674 C.2 1 noname 0.0927 6 C3 0.3618 1.7345 -1.2635 C.2 1 noname 0.0927 7 O2 2.7676 0.8218 1.4357 O.2 1 noname -0.2832 8 C4 1.7909 1.8149 -0.6219 C.3 1 noname 0.1177 9 O3 0.1082 2.1174 -2.4260 O.2 1 noname -0.2832 10 C5 1.9877 3.1926 0.0139 C.3 1 noname -0.0305 11 C6 2.9053 1.8104 -1.6702 C.3 1 noname -0.0336 12 C7 0.9624 3.3893 1.1324 C.3 1 noname -0.0495 13 C8 2.9325 0.4552 -2.3797 C.3 1 noname -0.0639 14 C9 1.1592 4.7670 1.7681 C.3 1 noname -0.0470 15 C10 0.1339 4.9637 2.8866 C.3 1 noname -0.0628 16 C11 2.5717 4.8639 2.3482 C.3 1 noname -0.0628 17 H1 1.5386 -1.4304 0.1493 H 1 noname 0.1414 18 H2 -1.5068 1.6458 -0.0991 H 1 noname 0.1414 19 H3 2.9703 3.1839 0.4857 H 1 noname 0.0282 20 H4 1.7591 3.9299 -0.7557 H 1 noname 0.0282 21 H5 2.6344 2.5531 -2.4206 H 1 noname 0.0279 22 H6 3.8470 1.9011 -1.1287 H 1 noname 0.0279 23 H7 -0.0202 3.3980 0.6606 H 1 noname 0.0269 24 H8 1.1909 2.6521 1.9020 H 1 noname 0.0269 25 H9 2.9486 -0.3432 -1.6377 H 1 noname 0.0231 26 H10 2.0444 0.3537 -3.0034 H 1 noname 0.0231 27 H11 3.8240 0.3895 -3.0034 H 1 noname 0.0231 28 H12 1.0236 5.5393 1.0110 H 1 noname 0.0297 29 H13 -0.1988 3.9913 3.2496 H 1 noname 0.0233 30 H14 0.5912 5.5200 3.7049 H 1 noname 0.0233 31 H15 -0.7209 5.5200 2.5021 H 1 noname 0.0233 32 H16 2.5184 4.8602 3.4369 H 1 noname 0.0233 33 H17 3.1624 4.0123 2.0105 H 1 noname 0.0233 34 H18 3.0406 5.7881 2.0105 H 1 noname 0.0233 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 2 7 5 8 1 8 6 9 2 9 6 8 1 10 8 10 1 11 8 11 1 12 10 12 1 13 11 13 1 14 12 14 1 15 14 15 1 16 14 16 1 17 3 17 1 18 4 18 1 19 10 19 1 20 10 20 1 21 11 21 1 22 11 22 1 23 12 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 15 29 1 30 15 30 1 31 15 31 1 32 16 32 1 33 16 33 1 34 16 34 1 @SUBSTRUCTURE 1 noname 1