@MOLECULE 76967015 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.8915 -1.0811 -0.4483 O.3 1 noname -0.2785 2 O2 -0.4378 3.7827 0.5252 O.3 1 noname -0.2740 3 N1 -2.2472 -2.6207 -0.8067 N.3 1 noname -0.3301 4 C1 -0.0115 0.1833 0.1927 C.2 1 noname -0.0240 5 C2 -0.7871 -1.0430 0.3546 C.3 1 noname 0.0249 6 C3 1.3177 0.1171 -0.2085 C.2 1 noname -0.0120 7 C4 -1.4706 -1.3927 -0.9688 C.3 1 noname -0.0035 8 C5 -0.6024 1.4170 0.4396 C.2 1 noname -0.0196 9 C6 0.1360 2.5845 0.2854 C.2 1 noname 0.0017 10 C7 2.0561 1.2846 -0.3626 C.2 1 noname -0.0053 11 C8 1.4653 2.5183 -0.1157 C.2 1 noname 0.0051 12 C9 2.4756 -1.5742 0.7484 C.3 1 noname 0.0423 13 C10 2.1516 3.6035 -0.2590 C.1 1 noname -0.0441 14 C11 -1.0218 4.2758 -0.6715 C.3 1 noname 0.0423 15 C12 2.7859 4.6064 -0.3915 C.1 1 noname -0.0904 16 H1 -1.5429 -0.8957 1.1260 H 1 noname 0.0330 17 H2 -0.1234 -1.8568 0.6469 H 1 noname 0.0330 18 H3 -2.1343 -0.5790 -1.2612 H 1 noname 0.0429 19 H4 -0.7147 -1.5401 -1.7403 H 1 noname 0.0429 20 H5 -1.5778 1.4656 0.7339 H 1 noname 0.0654 21 H6 3.0315 1.2360 -0.6570 H 1 noname 0.0664 22 H7 -2.7037 -2.8543 -1.6907 H 1 noname 0.1184 23 H8 -2.9559 -2.4826 -0.0834 H 1 noname 0.1184 24 H9 2.9389 -2.5417 0.5548 H 1 noname 0.0535 25 H10 1.7038 -1.6869 1.5098 H 1 noname 0.0535 26 H11 3.2324 -0.8726 1.0993 H 1 noname 0.0535 27 H12 -1.4852 5.2433 -0.4778 H 1 noname 0.0535 28 H13 -1.7787 3.5743 -1.0223 H 1 noname 0.0535 29 H14 -0.2500 4.3885 -1.4329 H 1 noname 0.0535 30 H15 3.2757 5.3809 -0.4937 H 1 noname 0.1241 @BOND 1 1 6 1 2 1 12 1 3 2 9 1 4 2 14 1 5 3 7 1 6 3 22 1 7 3 23 1 8 4 5 1 9 4 6 1 10 4 8 2 11 5 7 1 12 5 16 1 13 5 17 1 14 6 10 2 15 7 18 1 16 7 19 1 17 8 9 1 18 8 20 1 19 9 11 2 20 10 11 1 21 10 21 1 22 11 13 1 23 12 24 1 24 12 25 1 25 12 26 1 26 13 15 3 27 14 27 1 28 14 28 1 29 14 29 1 30 15 30 1 @SUBSTRUCTURE 1 noname 1