@MOLECULE 71587330 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 -1.9130 3.1127 -1.6097 O.3 1 noname -0.3886 2 O2 -2.2220 5.0374 0.4216 O.3 1 noname -0.3905 3 O3 -1.9236 -0.8967 1.0502 O.2 1 noname -0.2504 4 N1 -0.5565 1.2635 -0.0140 N.3 1 noname -0.1108 5 N2 1.6846 2.1263 1.3626 N.3 1 noname -0.1377 6 N3 1.3721 0.3768 2.9668 N.3 1 noname -0.0086 7 N4 -0.3945 -1.1430 2.7173 N.2 1 noname -0.1556 8 N5 1.1543 -1.4224 4.4764 N.3 1 noname -0.1233 9 C1 0.1504 2.3348 -0.6379 C.3 1 noname 0.0530 10 C2 -0.8153 3.5106 -0.8015 C.3 1 noname 0.0965 11 C3 1.4221 2.8089 0.1236 C.3 1 noname 0.0193 12 C4 -1.3259 3.9464 0.5734 C.3 1 noname 0.0788 13 C5 -0.1945 0.6391 1.1399 C.2 1 noname -0.0059 14 C6 0.9583 1.0627 1.8473 C.2 1 noname -0.1091 15 C7 -2.0536 2.7778 1.2410 C.3 1 noname -0.0363 16 C8 -0.8854 -0.4945 1.6185 C.2 1 noname 0.1329 17 C9 0.7192 -0.7420 3.4071 C.2 1 noname -0.0790 18 H1 0.4245 2.0355 -1.6528 H 1 noname 0.0509 19 H2 -0.2969 4.3432 -1.2771 H 1 noname 0.0644 20 H3 1.3575 3.8815 0.3063 H 1 noname 0.0449 21 H4 2.2494 2.7127 -0.5796 H 1 noname 0.0449 22 H5 -0.4833 4.2518 1.1938 H 1 noname 0.0625 23 H6 -0.7916 0.5995 -0.6808 H 1 noname 0.1288 24 H7 2.6318 1.9277 1.4279 H 1 noname 0.1292 25 H8 -1.3658 1.9403 1.3576 H 1 noname 0.0257 26 H9 -2.8962 2.4723 0.6207 H 1 noname 0.0257 27 H10 -2.4173 3.0882 2.2206 H 1 noname 0.0257 28 H11 -1.5860 2.8336 -2.4904 H 1 noname 0.2106 29 H12 2.1467 0.6950 3.4562 H 1 noname 0.1377 30 H13 -1.7559 5.7859 -0.0060 H 1 noname 0.2105 31 H14 0.5700 -2.1798 4.6374 H 1 noname 0.1268 32 H15 1.1512 -0.8410 5.2528 H 1 noname 0.1268 @BOND 1 10 1 1 2 1 28 1 3 12 2 1 4 2 30 1 5 3 16 2 6 4 9 1 7 4 13 1 8 4 23 1 9 5 11 1 10 5 14 1 11 5 24 1 12 6 14 1 13 6 17 1 14 6 29 1 15 7 16 1 16 7 17 2 17 8 17 1 18 8 31 1 19 8 32 1 20 9 10 1 21 9 11 1 22 9 18 1 23 10 12 1 24 10 19 1 25 11 20 1 26 11 21 1 27 12 15 1 28 12 22 1 29 13 14 2 30 13 16 1 31 15 25 1 32 15 26 1 33 15 27 1 @SUBSTRUCTURE 1 noname 1