@MOLECULE DB03639 34 33 1 SMALL USER_CHARGES @ATOM 1 N1 3.5020 -1.4425 0.0000 N.3 1 noname -0.2899 2 C1 3.9893 -2.8209 0.0000 C.3 1 noname 0.1065 3 C2 2.0400 -1.4425 0.0000 C.3 1 noname -0.0022 4 N2 5.4513 -2.8209 0.0000 N.3 1 noname -0.3037 5 N3 3.5020 -3.5101 -1.1937 N.3 1 noname -0.3037 6 C3 1.5300 0.0000 0.0000 C.3 1 noname -0.0405 7 C4 0.0000 0.0000 0.0000 C.3 1 noname -0.0521 8 C5 -0.5100 1.4425 0.0000 C.3 1 noname -0.0532 9 C6 -2.0400 1.4425 0.0000 C.3 1 noname -0.0521 10 C7 -2.5500 2.8850 0.0000 C.3 1 noname -0.0409 11 C8 -4.0800 2.8850 0.0000 C.3 1 noname -0.0076 12 N4 -4.5673 4.2634 0.0000 N.3 1 noname -0.3304 13 H1 4.0851 -0.6178 0.0000 H 1 noname 0.1250 14 H2 3.6260 -3.3347 0.8900 H 1 noname 0.0809 15 H3 1.7398 -1.8974 -0.9440 H 1 noname 0.0428 16 H4 1.7398 -1.8974 0.9440 H 1 noname 0.0428 17 H5 5.9563 -3.6956 0.0000 H 1 noname 0.1212 18 H6 5.9563 -1.9462 0.0000 H 1 noname 0.1212 19 H7 2.5239 -3.7481 -1.2754 H 1 noname 0.1212 20 H8 4.1435 -3.7481 -1.9366 H 1 noname 0.1212 21 H9 1.8447 0.4450 0.9440 H 1 noname 0.0279 22 H10 1.8447 0.4450 -0.9440 H 1 noname 0.0279 23 H11 -0.3147 -0.4450 -0.9440 H 1 noname 0.0267 24 H12 -0.3147 -0.4450 0.9440 H 1 noname 0.0267 25 H13 -0.1953 1.8875 0.9440 H 1 noname 0.0266 26 H14 -0.1953 1.8875 -0.9440 H 1 noname 0.0266 27 H15 -2.3547 0.9975 -0.9440 H 1 noname 0.0267 28 H16 -2.3547 0.9975 0.9440 H 1 noname 0.0267 29 H17 -2.2353 3.3300 0.9440 H 1 noname 0.0279 30 H18 -2.2353 3.3300 -0.9440 H 1 noname 0.0279 31 H19 -4.4088 2.4503 -0.9440 H 1 noname 0.0425 32 H20 -4.4088 2.4503 0.9440 H 1 noname 0.0425 33 H21 -3.9110 5.0311 0.0000 H 1 noname 0.1184 34 H22 -5.5603 4.4479 0.0000 H 1 noname 0.1184 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 1 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 30 11 31 1 31 11 32 1 32 12 33 1 33 12 34 1 @SUBSTRUCTURE 1 noname 1