@MOLECULE 71587215 34 35 1 SMALL USER_CHARGES @ATOM 1 O1 4.2433 -1.6273 2.2464 O.3 1 noname -0.3548 2 O2 6.1846 -0.3253 1.4256 O.3 1 noname -0.3548 3 N1 2.5953 0.7916 -1.0908 N.3 1 noname -0.3018 4 N2 3.5771 4.8735 -0.2718 N.2 1 noname -0.2516 5 C1 3.9149 0.6107 1.0463 C.3 1 noname 0.0257 6 C2 3.8897 1.0852 -0.4467 C.3 1 noname 0.0430 7 C3 3.4783 -0.8889 1.2539 C.3 1 noname 0.0564 8 C4 5.3362 0.8043 1.7025 C.3 1 noname 0.0564 9 C5 4.2200 2.5582 -0.5109 C.2 1 noname -0.0122 10 C6 5.6910 -1.5246 2.0799 C.3 1 noname 0.1464 11 C7 2.6252 1.2531 -2.4777 C.3 1 noname -0.0130 12 C8 2.3523 -0.6498 -1.0619 C.3 1 noname -0.0130 13 C9 5.5787 3.0198 -0.6413 C.2 1 noname -0.0318 14 C10 3.2077 3.5509 -0.3165 C.2 1 noname 0.0067 15 C11 5.9552 4.3864 -0.5698 C.2 1 noname -0.0241 16 C12 4.8803 5.3077 -0.3881 C.2 1 noname -0.0024 17 H1 3.2132 1.2369 1.5974 H 1 noname 0.0369 18 H2 4.6320 0.5130 -1.0119 H 1 noname 0.0523 19 H3 5.2259 0.9203 2.7806 H 1 noname 0.0571 20 H4 5.7628 1.7177 1.2879 H 1 noname 0.0571 21 H5 2.4193 -0.9270 1.5094 H 1 noname 0.0571 22 H6 3.6703 -1.3864 0.3033 H 1 noname 0.0571 23 H7 6.0594 -2.4042 1.5522 H 1 noname 0.0882 24 H8 6.1011 -1.5600 3.0892 H 1 noname 0.0882 25 H9 1.6688 1.0362 -2.9535 H 1 noname 0.0394 26 H10 1.3959 -0.8666 -1.5377 H 1 noname 0.0394 27 H11 2.3300 -0.9938 -0.0278 H 1 noname 0.0394 28 H12 3.1499 -1.1635 -1.5985 H 1 noname 0.0394 29 H13 2.8063 2.3277 -2.4993 H 1 noname 0.0394 30 H14 3.4228 0.7393 -3.0144 H 1 noname 0.0394 31 H15 6.3106 2.3259 -0.7935 H 1 noname 0.0627 32 H16 2.2294 3.2814 -0.2130 H 1 noname 0.0842 33 H17 6.9265 4.6891 -0.6431 H 1 noname 0.0638 34 H18 5.0803 6.3069 -0.3433 H 1 noname 0.0839 @BOND 1 1 7 1 2 1 10 1 3 2 8 1 4 2 10 1 5 6 3 1 6 3 11 1 7 3 12 1 8 4 14 1 9 4 16 2 10 5 6 1 11 5 7 1 12 5 8 1 13 5 17 1 14 6 9 1 15 6 18 1 16 7 21 1 17 7 22 1 18 8 19 1 19 8 20 1 20 9 13 1 21 9 14 2 22 10 23 1 23 10 24 1 24 11 25 1 25 11 29 1 26 11 30 1 27 12 26 1 28 12 27 1 29 12 28 1 30 13 15 2 31 13 31 1 32 14 32 1 33 15 16 1 34 15 33 1 35 16 34 1 @SUBSTRUCTURE 1 noname 1