@MOLECULE 92135750 29 30 1 SMALL USER_CHARGES @ATOM 1 S1 0.9988 2.1849 -0.4265 S.3 1 noname -0.2318 2 N1 -1.1190 -2.9814 -2.6229 N.3 1 noname -0.3194 3 N2 1.7216 0.1688 0.7629 N.2 1 noname -0.2320 4 C1 -1.1779 -1.7588 -0.5084 C.3 1 noname -0.0229 5 C2 -2.0203 -0.6066 -1.1810 C.3 1 noname -0.0439 6 C3 -0.3120 -1.3489 0.7246 C.3 1 noname 0.0472 7 C4 -1.5838 0.8639 -0.8820 C.3 1 noname 0.0371 8 C5 -0.2857 -2.4196 -1.5611 C.3 1 noname -0.0019 9 C6 0.4040 -0.0687 0.4544 C.2 1 noname 0.0219 10 C7 -0.2529 0.9643 -0.2465 C.2 1 noname 0.0202 11 C8 2.3058 1.3453 0.4061 C.2 1 noname 0.0518 12 C9 -0.2665 -3.6128 -3.6289 C.3 1 noname -0.0164 13 C10 3.6720 1.7980 0.6515 C.3 1 noname 0.0550 14 H1 -1.8544 -2.5601 -0.2110 H 1 noname 0.0319 15 H2 -3.0733 -0.7316 -0.9286 H 1 noname 0.0273 16 H3 -1.9288 -0.7765 -2.2538 H 1 noname 0.0273 17 H4 -0.9551 -1.2285 1.5964 H 1 noname 0.0335 18 H5 0.3843 -2.1311 1.0270 H 1 noname 0.0335 19 H6 -2.3278 1.3412 -0.2442 H 1 noname 0.0325 20 H7 -1.6153 1.4800 -1.7806 H 1 noname 0.0325 21 H8 0.3892 -1.6755 -1.9842 H 1 noname 0.0430 22 H9 0.2962 -3.2155 -1.0964 H 1 noname 0.0430 23 H10 -1.7518 -3.6790 -2.2263 H 1 noname 0.1219 24 H11 -0.8878 -4.0316 -4.4206 H 1 noname 0.0391 25 H12 0.4084 -2.8687 -4.0520 H 1 noname 0.0391 26 H13 0.3155 -4.4087 -3.1642 H 1 noname 0.0391 27 H14 3.6507 2.7142 1.2415 H 1 noname 0.0304 28 H15 4.1675 1.9900 -0.3001 H 1 noname 0.0304 29 H16 4.2177 1.0276 1.1964 H 1 noname 0.0304 @BOND 1 1 10 1 2 1 11 1 3 2 8 1 4 2 12 1 5 2 23 1 6 3 9 1 7 3 11 2 8 4 5 1 9 4 6 1 10 4 8 1 11 4 14 1 12 5 7 1 13 5 15 1 14 5 16 1 15 6 9 1 16 6 17 1 17 6 18 1 18 7 10 1 19 7 19 1 20 7 20 1 21 8 21 1 22 8 22 1 23 9 10 2 24 11 13 1 25 12 24 1 26 12 25 1 27 12 26 1 28 13 27 1 29 13 28 1 30 13 29 1 @SUBSTRUCTURE 1 noname 1