@MOLECULE 71587588 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 4.0748 -3.0196 -2.6525 O.2 1 noname -0.2909 2 N1 6.2095 -4.8791 -2.1110 N.3 1 noname -0.3063 3 N2 4.0518 -2.3998 -0.3003 N.3 1 noname -0.0746 4 N3 0.3239 -0.0856 -0.2278 N.3 1 noname -0.0485 5 N4 0.4261 2.0850 0.0333 N.2 1 noname -0.2419 6 C1 5.6094 -4.1078 -1.0093 C.3 1 noname 0.0814 7 C2 6.8366 -3.3539 -0.4741 C.3 1 noname -0.0280 8 C3 7.8758 -4.4647 -0.3954 C.3 1 noname -0.0387 9 C4 7.4926 -5.3803 -1.5689 C.3 1 noname -0.0040 10 C5 4.5039 -3.1441 -1.4851 C.2 1 noname 0.0459 11 C6 3.0153 -1.4719 -0.7124 C.3 1 noname 0.0080 12 C7 2.5976 -0.7155 0.5540 C.3 1 noname 0.0000 13 C8 1.5278 0.2313 0.2609 C.2 1 noname -0.0678 14 C9 1.6076 1.6070 0.4407 C.2 1 noname 0.0118 15 C10 -0.3498 1.0621 -0.3732 C.2 1 noname -0.0518 16 H1 5.1750 -4.8049 -0.2767 H 1 noname 0.0562 17 H2 6.6258 -2.9819 0.5285 H 1 noname 0.0288 18 H3 7.1525 -2.5971 -1.1922 H 1 noname 0.0288 19 H4 7.7573 -5.0073 0.5425 H 1 noname 0.0280 20 H5 8.9016 -4.1002 -0.4501 H 1 noname 0.0280 21 H6 7.3603 -6.3997 -1.2062 H 1 noname 0.0428 22 H7 8.2352 -5.3562 -2.3664 H 1 noname 0.0428 23 H8 6.3931 -4.2577 -2.9013 H 1 noname 0.1229 24 H9 4.3890 -2.5102 0.6025 H 1 noname 0.1310 25 H10 2.1626 -2.0288 -1.1008 H 1 noname 0.0436 26 H11 3.3334 -0.8284 -1.5327 H 1 noname 0.0436 27 H12 2.2571 -1.4269 1.3064 H 1 noname 0.0343 28 H13 3.4576 -0.1670 0.9382 H 1 noname 0.0343 29 H14 0.0009 -0.9760 -0.4369 H 1 noname 0.1534 30 H15 2.3979 2.1387 0.8054 H 1 noname 0.0856 31 H16 -1.2999 1.1482 -0.7343 H 1 noname 0.1013 @BOND 1 1 10 2 2 2 6 1 3 2 9 1 4 2 23 1 5 3 10 1 6 3 11 1 7 3 24 1 8 4 13 1 9 4 15 1 10 4 29 1 11 5 14 1 12 5 15 2 13 6 7 1 14 6 10 1 15 6 16 1 16 7 8 1 17 7 17 1 18 7 18 1 19 8 9 1 20 8 19 1 21 8 20 1 22 9 21 1 23 9 22 1 24 11 12 1 25 11 25 1 26 11 26 1 27 12 13 1 28 12 27 1 29 12 28 1 30 13 14 2 31 14 30 1 32 15 31 1 @SUBSTRUCTURE 1 noname 1