@MOLECULE 72941453 33 35 1 SMALL USER_CHARGES @ATOM 1 O1 -3.2609 -0.0309 -0.4101 O.3 1 noname 0.0000 2 N1 -0.3991 2.3055 1.4781 N.3 1 noname 0.0000 3 C1 -1.2502 2.6871 0.2686 C.3 1 noname 0.0000 4 C2 -1.3888 1.3405 2.1235 C.3 1 noname 0.0000 5 C3 -0.0095 3.4492 2.3988 C.3 1 noname 0.0000 6 C4 0.9879 1.8115 1.2173 C.3 1 noname 0.0000 7 C5 -2.6670 3.0075 0.8473 C.3 1 noname 0.0000 8 C6 -2.7793 2.0720 2.0802 C.3 1 noname 0.0000 9 C7 -1.4238 1.5245 -0.7918 C.3 1 noname 0.0000 10 C8 -1.5511 -0.0199 1.3343 C.3 1 noname 0.0000 11 C9 -1.8646 0.1440 -0.1932 C.3 1 noname 0.0000 12 C10 1.2754 4.0997 1.8777 C.3 1 noname 0.0000 13 C11 1.8345 3.0494 0.9236 C.3 1 noname 0.0000 14 H1 -0.8414 3.5604 -0.2666 H 1 noname 0.0000 15 H2 -1.1301 1.0749 3.1587 H 1 noname 0.0000 16 H3 0.9830 1.1592 0.3440 H 1 noname 0.0000 17 H4 1.3661 1.3344 2.1214 H 1 noname 0.0000 18 H5 -0.8095 4.1892 2.4177 H 1 noname 0.0000 19 H6 0.2038 3.0289 3.3817 H 1 noname 0.0000 20 H7 -3.4280 2.7370 0.1154 H 1 noname 0.0000 21 H8 -2.7006 4.0468 1.1741 H 1 noname 0.0000 22 H9 -3.5694 1.3406 1.9106 H 1 noname 0.0000 23 H10 -2.8264 2.6630 2.9949 H 1 noname 0.0000 24 H11 -2.1368 1.8335 -1.5562 H 1 noname 0.0000 25 H12 -0.4345 1.3614 -1.2194 H 1 noname 0.0000 26 H13 -2.3305 -0.6209 1.8027 H 1 noname 0.0000 27 H14 -0.5866 -0.5230 1.4028 H 1 noname 0.0000 28 H15 -1.3848 -0.6673 -0.7449 H 1 noname 0.0000 29 H16 1.0253 5.0016 1.3191 H 1 noname 0.0000 30 H17 1.9362 4.3176 2.7167 H 1 noname 0.0000 31 H18 1.6678 3.3678 -0.1054 H 1 noname 0.0000 32 H19 2.9030 2.8780 1.0542 H 1 noname 0.0000 33 H20 -3.4468 -0.0134 -1.3722 H 1 noname 0.0000 @BOND 1 1 11 1 2 1 33 1 3 2 3 1 4 2 4 1 5 2 5 1 6 2 6 1 7 3 7 1 8 3 9 1 9 3 14 1 10 4 8 1 11 4 10 1 12 4 15 1 13 5 12 1 14 5 18 1 15 5 19 1 16 6 13 1 17 6 16 1 18 6 17 1 19 7 8 1 20 7 20 1 21 7 21 1 22 8 22 1 23 8 23 1 24 9 11 1 25 9 24 1 26 9 25 1 27 10 11 1 28 10 26 1 29 10 27 1 30 11 28 1 31 12 13 1 32 12 29 1 33 12 30 1 34 13 31 1 35 13 32 1 @SUBSTRUCTURE 1 noname 1