@MOLECULE DB04333 30 29 1 SMALL USER_CHARGES @ATOM 1 N1 5.5420 -2.8850 0.0000 N.3 1 noname -0.3304 2 C1 4.0800 -2.8850 0.0000 C.3 1 noname -0.0076 3 C2 3.5700 -1.4425 0.0000 C.3 1 noname -0.0409 4 C3 2.0400 -1.4425 0.0000 C.3 1 noname -0.0521 5 C4 1.5300 0.0000 0.0000 C.3 1 noname -0.0532 6 C5 0.0000 0.0000 0.0000 C.3 1 noname -0.0532 7 C6 -0.5100 1.4425 0.0000 C.3 1 noname -0.0521 8 C7 -2.0400 1.4425 0.0000 C.3 1 noname -0.0409 9 C8 -2.5500 2.8850 0.0000 C.3 1 noname -0.0076 10 N2 -4.0120 2.8850 0.0000 N.3 1 noname -0.3304 11 H1 6.0470 -3.7597 0.0000 H 1 noname 0.1184 12 H2 6.0470 -2.0103 0.0000 H 1 noname 0.1184 13 H3 3.7798 -3.3399 -0.9440 H 1 noname 0.0425 14 H4 3.7798 -3.3399 0.9440 H 1 noname 0.0425 15 H5 3.8847 -0.9975 0.9440 H 1 noname 0.0279 16 H6 3.8847 -0.9975 -0.9440 H 1 noname 0.0279 17 H7 1.7253 -1.8875 -0.9440 H 1 noname 0.0267 18 H8 1.7253 -1.8875 0.9440 H 1 noname 0.0267 19 H9 1.8447 0.4450 0.9440 H 1 noname 0.0266 20 H10 1.8447 0.4450 -0.9440 H 1 noname 0.0266 21 H11 -0.3147 -0.4450 -0.9440 H 1 noname 0.0266 22 H12 -0.3147 -0.4450 0.9440 H 1 noname 0.0266 23 H13 -0.1953 1.8875 0.9440 H 1 noname 0.0267 24 H14 -0.1953 1.8875 -0.9440 H 1 noname 0.0267 25 H15 -2.3547 0.9975 -0.9440 H 1 noname 0.0279 26 H16 -2.3547 0.9975 0.9440 H 1 noname 0.0279 27 H17 -2.2498 3.3399 0.9440 H 1 noname 0.0425 28 H18 -2.2498 3.3399 -0.9440 H 1 noname 0.0425 29 H19 -4.5170 3.7597 0.0000 H 1 noname 0.1184 30 H20 -4.5170 2.0103 0.0000 H 1 noname 0.1184 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 6 22 1 22 7 23 1 23 7 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 @SUBSTRUCTURE 1 noname 1