@MOLECULE 91936901 30 29 1 SMALL USER_CHARGES @ATOM 1 N1 3.1627 -1.5779 0.3399 N.3 1 noname -0.2612 2 N2 4.2303 -1.8349 -0.5189 N.3 1 noname -0.2675 3 C1 0.6489 -0.5525 -2.3010 C.3 1 noname -0.0518 4 C2 1.9577 -0.5292 -1.5088 C.3 1 noname -0.0367 5 C3 0.6945 0.5185 -3.3927 C.3 1 noname -0.0532 6 C4 1.9122 -1.6002 -0.4171 C.3 1 noname 0.0183 7 C5 -0.6143 0.4952 -4.1848 C.3 1 noname -0.0535 8 C6 -0.5688 1.5662 -5.2765 C.3 1 noname -0.0561 9 C7 0.7404 -1.3182 0.5254 C.3 1 noname -0.0484 10 C8 -1.8775 1.5430 -6.0687 C.3 1 noname -0.0654 11 H1 -0.1858 -0.3516 -1.6295 H 1 noname 0.0267 12 H2 0.5189 -1.5329 -2.7591 H 1 noname 0.0267 13 H3 2.0877 0.4513 -1.0507 H 1 noname 0.0283 14 H4 2.7925 -0.7301 -2.1803 H 1 noname 0.0283 15 H5 0.8245 1.4990 -2.9346 H 1 noname 0.0266 16 H6 1.5292 0.3176 -4.0642 H 1 noname 0.0266 17 H7 1.7821 -2.5807 -0.8752 H 1 noname 0.0476 18 H8 -1.4491 0.6961 -3.5134 H 1 noname 0.0266 19 H9 -0.7443 -0.4852 -4.6429 H 1 noname 0.0266 20 H10 -0.4387 2.5467 -4.8185 H 1 noname 0.0264 21 H11 0.2660 1.3653 -5.9480 H 1 noname 0.0264 22 H12 -0.1920 -1.3348 -0.0389 H 1 noname 0.0247 23 H13 0.7080 -2.0812 1.3032 H 1 noname 0.0247 24 H14 0.8704 -0.3377 0.9835 H 1 noname 0.0247 25 H15 3.1323 -2.2933 1.0691 H 1 noname 0.1412 26 H16 -1.8451 2.3059 -6.8465 H 1 noname 0.0230 27 H17 -2.7123 1.7439 -5.3972 H 1 noname 0.0230 28 H18 -2.0075 0.5625 -6.5268 H 1 noname 0.0230 29 H19 5.1045 -1.8193 0.0102 H 1 noname 0.1373 30 H20 4.1084 -2.7542 -0.9484 H 1 noname 0.1373 @BOND 1 1 2 1 2 6 1 1 3 1 25 1 4 2 29 1 5 2 30 1 6 3 4 1 7 3 5 1 8 3 11 1 9 3 12 1 10 4 6 1 11 4 13 1 12 4 14 1 13 5 7 1 14 5 15 1 15 5 16 1 16 6 9 1 17 6 17 1 18 7 8 1 19 7 18 1 20 7 19 1 21 8 10 1 22 8 20 1 23 8 21 1 24 9 22 1 25 9 23 1 26 9 24 1 27 10 26 1 28 10 27 1 29 10 28 1 @SUBSTRUCTURE 1 noname 1