@MOLECULE 73425526 25 24 1 SMALL USER_CHARGES @ATOM 1 N1 3.4113 -1.5650 0.2122 N.3 1 noname -0.3279 2 C1 1.4447 -0.1153 0.1997 C.3 1 noname -0.0382 3 C2 0.2830 0.3825 -0.6626 C.3 1 noname -0.0518 4 C3 2.3013 -1.0893 -0.6117 C.3 1 noname 0.0011 5 C4 -0.5736 1.3565 0.1489 C.3 1 noname -0.0535 6 C5 -1.7353 1.8544 -0.7134 C.3 1 noname -0.0561 7 C6 1.4447 -2.2791 -1.0495 C.3 1 noname -0.0500 8 C7 -2.5919 2.8284 0.0981 C.3 1 noname -0.0654 9 H1 1.0518 -0.6237 1.0802 H 1 noname 0.0282 10 H2 2.0549 0.7323 0.5116 H 1 noname 0.0282 11 H3 -0.3273 -0.4651 -0.9744 H 1 noname 0.0267 12 H4 0.6759 0.8909 -1.5431 H 1 noname 0.0267 13 H5 2.6942 -0.5810 -1.4922 H 1 noname 0.0459 14 H6 -0.9665 0.8482 1.0294 H 1 noname 0.0266 15 H7 0.0367 2.2041 0.4608 H 1 noname 0.0266 16 H8 -2.3455 1.0068 -1.0253 H 1 noname 0.0264 17 H9 -1.3424 2.3627 -1.5939 H 1 noname 0.0264 18 H10 0.6171 -1.9244 -1.6638 H 1 noname 0.0246 19 H11 1.0518 -2.7874 -0.1690 H 1 noname 0.0246 20 H12 2.0549 -2.9730 -1.6276 H 1 noname 0.0246 21 H13 3.9835 -2.2157 -0.3298 H 1 noname 0.1186 22 H14 3.0429 -2.0417 1.0378 H 1 noname 0.1186 23 H15 -3.4195 3.1831 -0.5162 H 1 noname 0.0230 24 H16 -2.9848 2.3200 0.9786 H 1 noname 0.0230 25 H17 -1.9816 3.6760 0.4100 H 1 noname 0.0230 @BOND 1 4 1 1 2 1 21 1 3 1 22 1 4 2 3 1 5 2 4 1 6 2 9 1 7 2 10 1 8 3 5 1 9 3 11 1 10 3 12 1 11 4 7 1 12 4 13 1 13 5 6 1 14 5 14 1 15 5 15 1 16 6 8 1 17 6 16 1 18 6 17 1 19 7 18 1 20 7 19 1 21 7 20 1 22 8 23 1 23 8 24 1 24 8 25 1 @SUBSTRUCTURE 1 noname 1