@MOLECULE DB03985 41 41 1 SMALL USER_CHARGES @ATOM 1 N1 -0.1281 4.1077 -0.9969 N.4 1 noname 0.0057 2 C1 -0.1874 2.6571 -0.8240 C.3 1 noname 0.0033 3 C2 -0.0275 4.4250 -2.4205 C.3 1 noname -0.0077 4 C3 1.0419 4.6346 -0.2963 C.3 1 noname -0.0221 5 C4 -1.4362 2.0947 -1.5718 C.3 1 noname 0.0168 6 C5 -0.2035 2.3126 0.7095 C.3 1 noname 0.0024 7 C6 0.0346 5.9430 -2.6015 C.3 1 noname 0.0139 8 C7 -2.6665 2.3560 -0.8279 C.2 1 noname -0.0781 9 C8 -1.5579 2.6788 1.3972 C.3 1 noname -0.0259 10 C9 0.1330 6.2534 -3.9939 C.2 1 noname -0.0797 11 C10 -2.7131 2.6048 0.4988 C.2 1 noname -0.0775 12 C11 0.2003 7.5214 -4.3894 C.2 1 noname -0.0799 13 C12 -4.0037 2.8144 1.0779 C.3 1 noname -0.0439 14 C13 0.2987 7.8318 -5.7819 C.3 1 noname -0.0442 15 C14 0.1742 8.5744 -3.4222 C.3 1 noname -0.0442 16 H1 -0.9649 4.5265 -0.6169 H 1 noname 0.2580 17 H2 0.7143 2.2507 -1.2821 H 1 noname 0.0981 18 H3 0.9263 4.0150 -2.7528 H 1 noname 0.0943 19 H4 -0.9569 4.0778 -2.8719 H 1 noname 0.0943 20 H5 0.8836 4.5633 0.7798 H 1 noname 0.0902 21 H6 1.9227 4.0552 -0.5731 H 1 noname 0.0902 22 H7 1.1917 5.6781 -0.5731 H 1 noname 0.0902 23 H8 -1.5413 2.6536 -2.5017 H 1 noname 0.0379 24 H9 -1.3430 1.0090 -1.5960 H 1 noname 0.0379 25 H10 -0.1160 1.2283 0.7781 H 1 noname 0.0339 26 H11 0.5497 2.9505 1.1721 H 1 noname 0.0339 27 H12 -0.9186 6.3590 -2.2751 H 1 noname 0.0376 28 H13 0.9645 6.2963 -2.1560 H 1 noname 0.0376 29 H14 -3.6443 2.3664 -1.3094 H 1 noname 0.0578 30 H15 -1.7487 1.9180 2.1541 H 1 noname 0.0315 31 H16 -1.4983 3.7289 1.6829 H 1 noname 0.0315 32 H17 0.1575 5.4985 -4.7798 H 1 noname 0.0577 33 H18 -3.9209 2.8010 2.1646 H 1 noname 0.0276 34 H19 -4.3943 3.7795 0.7551 H 1 noname 0.0276 35 H20 -4.6797 2.0226 0.7551 H 1 noname 0.0276 36 H21 0.3394 6.9076 -6.3582 H 1 noname 0.0276 37 H22 -0.5719 8.4123 -6.0871 H 1 noname 0.0276 38 H23 1.2036 8.4123 -5.9616 H 1 noname 0.0276 39 H24 0.1847 8.1471 -2.4195 H 1 noname 0.0276 40 H25 1.0486 9.2114 -3.5550 H 1 noname 0.0276 41 H26 -0.7308 9.1674 -3.5550 H 1 noname 0.0276 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 2 5 1 5 2 6 1 6 3 7 1 7 5 8 1 8 6 9 1 9 7 10 1 10 8 11 2 11 9 11 1 12 10 12 2 13 11 13 1 14 12 14 1 15 12 15 1 16 1 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 7 27 1 28 7 28 1 29 8 29 1 30 9 30 1 31 9 31 1 32 10 32 1 33 13 33 1 34 13 34 1 35 13 35 1 36 14 36 1 37 14 37 1 38 14 38 1 39 15 39 1 40 15 40 1 41 15 41 1 @SUBSTRUCTURE 1 noname 1