@MOLECULE 76957206 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 -0.0323 2.1313 -0.7310 O.3 1 noname -0.2611 2 O2 -7.6984 -1.9720 -1.8380 O.2 1 noname -0.2830 3 O3 3.2914 1.2966 -0.3564 O.2 1 noname -0.2663 4 N1 -4.6942 -1.6677 -0.2054 N.2 1 noname -0.2670 5 N2 -5.9103 -2.0574 -0.4533 N.3 1 noname 0.0629 6 N3 1.4865 0.0177 0.1623 N.3 1 noname -0.1238 7 C1 -5.0599 0.4795 -1.1223 C.3 1 noname 0.0086 8 C2 -4.1467 -0.5123 -0.4606 C.2 1 noname 0.0215 9 C3 -6.1231 -0.2248 -2.0401 C.3 1 noname 0.0311 10 C4 -2.7491 -0.3570 -0.1548 C.2 1 noname -0.0233 11 C5 -4.4558 1.5915 -2.0228 C.3 1 noname -0.0564 12 C6 -6.6375 -1.4535 -1.4261 C.2 1 noname 0.0899 13 C7 -2.0226 0.8666 -0.2985 C.2 1 noname 0.0029 14 C8 -0.6299 0.9578 -0.2827 C.2 1 noname 0.0303 15 C9 0.1251 -0.1612 0.1116 C.2 1 noname 0.0156 16 C10 -1.9482 -1.4617 0.2754 C.2 1 noname -0.0381 17 C11 -0.5419 -1.3684 0.4137 C.2 1 noname -0.0197 18 C12 1.2665 2.4605 -0.2166 C.3 1 noname 0.1272 19 C13 2.0739 1.2317 -0.1116 C.2 1 noname 0.1440 20 H1 -5.6253 0.9757 -0.3204 H 1 noname 0.0371 21 H2 -6.9702 0.4494 -2.2136 H 1 noname 0.0368 22 H3 -5.6958 -0.5127 -3.0101 H 1 noname 0.0368 23 H4 -5.1644 2.0318 -2.7496 H 1 noname 0.0237 24 H5 -3.6347 1.1434 -2.5833 H 1 noname 0.0237 25 H6 -4.1040 2.3953 -1.3826 H 1 noname 0.0237 26 H7 -2.4394 1.7774 -0.4222 H 1 noname 0.0657 27 H8 -2.3623 -2.3677 0.4819 H 1 noname 0.0630 28 H9 0.0018 -2.1867 0.7237 H 1 noname 0.0640 29 H10 -6.3271 -2.8226 0.0107 H 1 noname 0.1590 30 H11 2.0682 -0.7361 0.3750 H 1 noname 0.1372 31 H12 1.1628 2.9124 0.7699 H 1 noname 0.0670 32 H13 1.7770 3.2243 -0.8031 H 1 noname 0.0670 @BOND 1 1 14 1 2 1 18 1 3 2 12 2 4 3 19 2 5 4 5 1 6 4 8 2 7 5 12 1 8 5 29 1 9 6 15 1 10 6 19 1 11 6 30 1 12 7 8 1 13 7 9 1 14 7 11 1 15 7 20 1 16 8 10 1 17 9 12 1 18 9 21 1 19 9 22 1 20 10 13 2 21 10 16 1 22 11 23 1 23 11 24 1 24 11 25 1 25 13 14 1 26 13 26 1 27 14 15 2 28 15 17 1 29 16 17 2 30 16 27 1 31 17 28 1 32 18 19 1 33 18 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1