@MOLECULE DB01273 29 32 1 SMALL USER_CHARGES @ATOM 1 N1 1.5353 0.1640 0.1622 N.2 1 noname -0.2371 2 C1 0.1772 0.0079 0.0966 C.2 1 noname 0.0553 3 C2 2.1748 1.3706 0.1379 C.2 1 noname 0.0156 4 C3 -0.6261 1.2039 -0.0165 C.2 1 noname 0.0553 5 C4 -0.3882 -1.2838 0.1626 C.2 1 noname -0.0053 6 C5 1.3873 2.5431 0.0271 C.2 1 noname 0.0156 7 N2 0.0307 2.4041 -0.0495 N.2 1 noname -0.2371 8 C6 -2.0362 1.1699 -0.0693 C.2 1 noname -0.0053 9 C7 -1.8024 -1.3016 0.1346 C.2 1 noname -0.0406 10 C8 -2.5905 -0.1283 0.0238 C.2 1 noname -0.0406 11 C9 -2.6750 -2.4787 -0.0014 C.3 1 noname 0.0234 12 C10 -3.9950 -0.5134 -0.1871 C.3 1 noname 0.0234 13 C11 -2.7681 -2.8187 -1.5472 C.3 1 noname 0.0021 14 C12 -4.0605 -1.9323 0.4458 C.3 1 noname -0.0370 15 C13 -4.2090 -0.6734 -1.7500 C.3 1 noname 0.0021 16 N3 -3.2433 -1.6519 -2.3950 N.3 1 noname -0.3154 17 H1 3.2625 1.3966 0.2039 H 1 noname 0.0856 18 H2 0.2152 -2.1891 0.2295 H 1 noname 0.0649 19 H3 1.8210 3.5428 0.0011 H 1 noname 0.0856 20 H4 -2.6444 2.0685 -0.1729 H 1 noname 0.0649 21 H5 -2.3061 -3.3206 0.5844 H 1 noname 0.0365 22 H6 -4.6796 0.2132 0.2504 H 1 noname 0.0365 23 H7 -1.7519 -3.0205 -1.8859 H 1 noname 0.0434 24 H8 -3.5399 -3.5809 -1.6549 H 1 noname 0.0434 25 H9 -4.8424 -2.5046 -0.0534 H 1 noname 0.0280 26 H10 -4.0662 -1.8335 1.5313 H 1 noname 0.0280 27 H11 -5.1957 -1.1155 -1.8880 H 1 noname 0.0434 28 H12 -3.9769 0.2923 -2.1990 H 1 noname 0.0434 29 H13 -2.9304 -1.5317 -3.3478 H 1 noname 0.1222 @BOND 1 1 2 1 2 1 3 2 3 2 4 1 4 2 5 2 5 3 6 1 6 4 7 1 7 4 8 2 8 5 9 1 9 6 7 2 10 8 10 1 11 9 11 1 12 9 10 2 13 10 12 1 14 11 13 1 15 11 14 1 16 12 15 1 17 12 14 1 18 13 16 1 19 15 16 1 20 3 17 1 21 5 18 1 22 6 19 1 23 8 20 1 24 11 21 1 25 12 22 1 26 13 23 1 27 13 24 1 28 14 25 1 29 14 26 1 30 15 27 1 31 15 28 1 32 16 29 1 @SUBSTRUCTURE 1 noname 1