@MOLECULE 76962624 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.9002 -0.8105 0.0301 O.3 1 noname -0.3704 2 N1 -1.0413 -3.2674 0.3692 N.3 1 noname -0.2984 3 C1 0.1254 -2.3646 0.2424 C.3 1 noname 0.0371 4 C2 -0.4661 -0.9869 -0.1909 C.3 1 noname 0.0979 5 C3 -2.1144 -2.8696 1.3247 C.3 1 noname 0.0219 6 C4 -2.4480 -1.3603 1.2538 C.3 1 noname 0.0603 7 C5 1.0575 -2.8866 -0.8528 C.3 1 noname -0.0467 8 C6 0.1810 0.2272 0.3907 C.2 1 noname -0.0417 9 C7 -0.5803 -4.6175 0.6887 C.3 1 noname -0.0128 10 C8 0.3357 1.3769 -0.4520 C.2 1 noname -0.0485 11 C9 0.5649 0.2765 1.7809 C.2 1 noname -0.0485 12 C10 0.9257 2.5702 0.0718 C.2 1 noname -0.0582 13 C11 1.1641 1.4572 2.3130 C.2 1 noname -0.0582 14 C12 1.3358 2.5766 1.4369 C.2 1 noname -0.0610 15 H1 0.6001 -2.2572 1.2177 H 1 noname 0.0494 16 H2 -0.3374 -1.0343 -1.2808 H 1 noname 0.0671 17 H3 -3.0143 -3.4505 1.1229 H 1 noname 0.0454 18 H4 -1.8128 -3.1080 2.3447 H 1 noname 0.0454 19 H5 -3.5298 -1.2267 1.2598 H 1 noname 0.0580 20 H6 -1.9541 -0.8688 2.0919 H 1 noname 0.0580 21 H7 1.9164 -2.2220 -0.9461 H 1 noname 0.0247 22 H8 0.5205 -2.9217 -1.8007 H 1 noname 0.0247 23 H9 1.3997 -3.8881 -0.5918 H 1 noname 0.0247 24 H10 -1.4392 -5.2821 0.7820 H 1 noname 0.0394 25 H11 -0.0301 -4.6005 1.6295 H 1 noname 0.0394 26 H12 0.0721 -4.9765 -0.1073 H 1 noname 0.0394 27 H13 0.0256 1.3440 -1.4232 H 1 noname 0.0626 28 H14 0.4082 -0.5320 2.3827 H 1 noname 0.0626 29 H15 1.0495 3.3946 -0.5159 H 1 noname 0.0622 30 H16 1.4609 1.5024 3.2878 H 1 noname 0.0622 31 H17 1.7732 3.4201 1.8079 H 1 noname 0.0622 @BOND 1 1 4 1 2 1 6 1 3 2 3 1 4 2 5 1 5 2 9 1 6 3 4 1 7 3 7 1 8 3 15 1 9 4 8 1 10 4 16 1 11 5 6 1 12 5 17 1 13 5 18 1 14 6 19 1 15 6 20 1 16 7 21 1 17 7 22 1 18 7 23 1 19 8 10 2 20 8 11 1 21 9 24 1 22 9 25 1 23 9 26 1 24 10 12 1 25 10 27 1 26 11 13 2 27 11 28 1 28 12 14 2 29 12 29 1 30 13 14 1 31 13 30 1 32 14 31 1 @SUBSTRUCTURE 1 noname 1