@MOLECULE 92135662 29 30 1 SMALL USER_CHARGES @ATOM 1 S1 0.7606 2.4317 -0.1366 S.3 1 noname -0.2318 2 N1 -2.2017 -3.4303 -1.9664 N.3 1 noname -0.3194 3 N2 1.9521 0.3678 0.4312 N.2 1 noname -0.2320 4 C1 -0.7775 -1.7235 -0.9526 C.3 1 noname -0.0229 5 C2 -1.8768 -0.6244 -1.2234 C.3 1 noname -0.0439 6 C3 0.1908 -1.4494 0.2412 C.3 1 noname 0.0472 7 C4 -1.6295 0.7957 -0.6196 C.3 1 noname 0.0371 8 C5 -1.4523 -3.0831 -0.7601 C.3 1 noname -0.0019 9 C6 0.6548 -0.0320 0.2193 C.2 1 noname 0.0219 10 C7 -0.2493 0.9933 -0.1284 C.2 1 noname 0.0202 11 C8 2.2901 1.6811 0.3147 C.2 1 noname 0.0518 12 C9 -2.8465 -4.7295 -1.7825 C.3 1 noname -0.0164 13 C10 3.5926 2.3101 0.5136 C.3 1 noname 0.0550 14 H1 -0.1467 -1.7265 -1.8415 H 1 noname 0.0319 15 H2 -2.8486 -0.9941 -0.8962 H 1 noname 0.0273 16 H3 -1.9224 -0.5289 -2.3082 H 1 noname 0.0273 17 H4 -0.3250 -1.6483 1.1806 H 1 noname 0.0335 18 H5 1.0355 -2.1380 0.2630 H 1 noname 0.0335 19 H6 -2.3334 0.9723 0.1936 H 1 noname 0.0325 20 H7 -1.8888 1.5815 -1.3290 H 1 noname 0.0325 21 H8 -2.1336 -3.0336 0.0893 H 1 noname 0.0430 22 H9 -0.6929 -3.8424 -0.5730 H 1 noname 0.0430 23 H10 -1.5629 -3.4767 -2.7628 H 1 noname 0.1219 24 H11 -3.4052 -4.9884 -2.6819 H 1 noname 0.0391 25 H12 -3.5278 -4.6800 -0.9332 H 1 noname 0.0391 26 H13 -2.0871 -5.4888 -1.5955 H 1 noname 0.0391 27 H14 3.5207 3.0503 1.3105 H 1 noname 0.0304 28 H15 3.9048 2.7989 -0.4093 H 1 noname 0.0304 29 H16 4.3247 1.5506 0.7882 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