@MOLECULE 72941530 29 29 1 SMALL USER_CHARGES @ATOM 1 N1 -2.7002 -1.5740 -0.7337 N.3 1 noname -0.3250 2 C1 -2.2265 -1.3725 0.6388 C.3 1 noname 0.0165 3 C2 -0.6295 -1.2029 0.5011 C.3 1 noname 0.0217 4 C3 -0.1357 -0.0781 -0.3913 C.2 1 noname -0.0551 5 C4 -2.6239 -2.7225 1.3204 C.3 1 noname -0.0467 6 C5 -3.1274 -0.3045 1.3885 C.3 1 noname -0.0467 7 C6 0.1830 -1.1236 1.8147 C.3 1 noname -0.0567 8 C7 -0.8908 1.1158 -0.5577 C.2 1 noname -0.0615 9 C8 1.1022 -0.1246 -1.0981 C.2 1 noname -0.0615 10 C9 -0.4880 2.1950 -1.3492 C.2 1 noname -0.0623 11 C10 1.5329 0.9670 -1.8949 C.2 1 noname -0.0623 12 C11 0.7293 2.1289 -2.0168 C.2 1 noname -0.0671 13 H1 -0.2315 -2.1524 0.0995 H 1 noname 0.0368 14 H2 -2.2906 -2.7400 2.3568 H 1 noname 0.0249 15 H3 -3.7126 -2.8925 1.3345 H 1 noname 0.0249 16 H4 -2.6813 -0.1127 2.3471 H 1 noname 0.0249 17 H5 -4.1394 -0.6783 1.5549 H 1 noname 0.0249 18 H6 -3.3526 0.6551 0.9443 H 1 noname 0.0249 19 H7 -2.1156 -3.5393 0.8080 H 1 noname 0.0249 20 H8 1.2416 -1.0105 1.5809 H 1 noname 0.0237 21 H9 -0.1536 -0.2671 2.3990 H 1 noname 0.0237 22 H10 0.0336 -2.0372 2.3902 H 1 noname 0.0237 23 H11 -3.7155 -1.6908 -0.7300 H 1 noname 0.1189 24 H12 -2.4528 -0.7616 -1.3023 H 1 noname 0.1189 25 H13 -1.7638 1.2600 -0.1109 H 1 noname 0.0625 26 H14 1.7119 -0.9618 -1.0299 H 1 noname 0.0625 27 H15 -1.0778 3.0253 -1.4339 H 1 noname 0.0622 28 H16 2.4385 0.9209 -2.3912 H 1 noname 0.0622 29 H17 1.0220 2.9312 -2.5867 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 23 1 3 1 24 1 4 2 3 1 5 2 5 1 6 2 6 1 7 3 4 1 8 3 7 1 9 3 13 1 10 4 8 2 11 4 9 1 12 5 14 1 13 5 15 1 14 5 19 1 15 6 16 1 16 6 17 1 17 6 18 1 18 7 20 1 19 7 21 1 20 7 22 1 21 8 10 1 22 8 25 1 23 9 11 2 24 9 26 1 25 10 12 2 26 10 27 1 27 11 12 1 28 11 28 1 29 12 29 1 @SUBSTRUCTURE 1 noname 1