@MOLECULE 76964038 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 4.1966 -2.3048 -3.5562 O.3 1 noname -0.3958 2 O2 3.3277 -5.2062 -0.6857 O.3 1 noname -0.3958 3 O3 -2.0511 2.9286 0.1457 O.2 1 noname -0.2752 4 N1 1.3838 -0.0403 0.0625 N.3 1 noname 0.0134 5 N2 0.8108 2.1203 0.1020 N.2 1 noname -0.1999 6 N3 -0.9077 -0.9656 0.0479 N.2 1 noname -0.2053 7 N4 -2.5782 0.7061 0.0059 N.3 1 noname 0.0507 8 N5 -3.1798 -1.5799 -0.1097 N.3 1 noname -0.1233 9 C1 3.2694 -2.9109 -1.4164 C.3 1 noname 0.0067 10 C2 2.4164 -1.6409 -1.4001 C.3 1 noname -0.0297 11 C3 2.1699 -1.2107 0.0474 C.3 1 noname -0.0384 12 C4 3.5160 -3.3410 -2.8639 C.3 1 noname 0.0482 13 C5 2.5360 -4.0275 -0.6705 C.3 1 noname 0.0482 14 C6 0.0368 0.0273 0.0975 C.2 1 noname 0.0324 15 C7 -0.3074 1.3817 0.1256 C.2 1 noname 0.0936 16 C8 1.8314 1.2353 0.0448 C.2 1 noname -0.0272 17 C9 -1.6798 1.7362 0.0946 C.2 1 noname 0.0882 18 C10 -2.2370 -0.6319 -0.0202 C.2 1 noname -0.0774 19 H1 4.2239 -2.7139 -0.9284 H 1 noname 0.0350 20 H2 1.4620 -1.8379 -1.8881 H 1 noname 0.0287 21 H3 2.9389 -0.8454 -1.9315 H 1 noname 0.0287 22 H4 1.6474 -2.0062 0.5788 H 1 noname 0.0473 23 H5 3.1244 -1.0137 0.5355 H 1 noname 0.0473 24 H6 1.5815 -4.2245 -1.1586 H 1 noname 0.0567 25 H7 2.3604 -3.7210 0.3607 H 1 noname 0.0567 26 H8 2.5615 -3.5381 -3.3520 H 1 noname 0.0567 27 H9 4.1236 -4.2459 -2.8756 H 1 noname 0.0567 28 H10 2.8159 1.4973 -0.0054 H 1 noname 0.1016 29 H11 2.8579 -5.9214 -0.2079 H 1 noname 0.2100 30 H12 4.3545 -2.5803 -4.4833 H 1 noname 0.2100 31 H13 -2.7598 -2.4542 -0.1149 H 1 noname 0.1268 32 H14 -3.7785 -1.5134 0.6506 H 1 noname 0.1268 33 H15 -3.5202 0.9323 -0.0419 H 1 noname 0.1400 @BOND 1 1 12 1 2 1 30 1 3 2 13 1 4 2 29 1 5 3 17 2 6 4 11 1 7 4 14 1 8 4 16 1 9 5 15 1 10 5 16 2 11 6 14 1 12 6 18 2 13 7 17 1 14 7 18 1 15 7 33 1 16 8 18 1 17 8 31 1 18 8 32 1 19 9 10 1 20 9 12 1 21 9 13 1 22 9 19 1 23 10 11 1 24 10 20 1 25 10 21 1 26 11 22 1 27 11 23 1 28 12 26 1 29 12 27 1 30 13 24 1 31 13 25 1 32 14 15 2 33 15 17 1 34 16 28 1 @SUBSTRUCTURE 1 noname 1