@MOLECULE 82312393 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3792 -1.4605 0.7214 O.3 1 noname -0.3867 2 N1 0.0282 -3.7415 -0.0762 N.3 1 noname -0.3142 3 C1 0.3798 -2.4566 -0.6732 C.3 1 noname 0.0366 4 C2 -0.0494 -1.2620 0.2498 C.3 1 noname 0.0944 5 C3 1.8562 -2.7319 -1.0645 C.3 1 noname -0.0378 6 C4 0.0501 0.1218 -0.3139 C.2 1 noname -0.0506 7 C5 2.8067 -1.6048 -1.4810 C.3 1 noname -0.0638 8 C6 -0.0292 1.2629 0.5336 C.2 1 noname -0.0506 9 C7 0.2972 0.3369 -1.6933 C.2 1 noname -0.0506 10 C8 0.7058 -3.8823 1.2116 C.3 1 noname -0.0160 11 C9 0.6670 2.7260 -1.3092 C.2 1 noname -0.0584 12 C10 0.2147 2.5625 0.0307 C.2 1 noname -0.0631 13 C11 0.7332 1.5887 -2.1495 C.2 1 noname -0.0631 14 C12 1.0356 4.0499 -1.8612 C.3 1 noname -0.0023 15 H1 -0.2108 -2.4240 -1.5774 H 1 noname 0.0495 16 H2 0.5590 -1.3227 1.1523 H 1 noname 0.0668 17 H3 1.8929 -3.5305 -1.8055 H 1 noname 0.0280 18 H4 2.3134 -3.1166 -0.1529 H 1 noname 0.0280 19 H5 -0.9831 -3.7865 0.0643 H 1 noname 0.1222 20 H6 3.7869 -2.0225 -1.7112 H 1 noname 0.0231 21 H7 2.8997 -0.8879 -0.6652 H 1 noname 0.0231 22 H8 2.4098 -1.1021 -2.3630 H 1 noname 0.0231 23 H9 -0.2453 1.1658 1.5350 H 1 noname 0.0626 24 H10 0.1792 -0.4062 -2.3939 H 1 noname 0.0626 25 H11 -1.9919 -1.5134 -0.0417 H 1 noname 0.2109 26 H12 0.4433 -4.8416 1.6573 H 1 noname 0.0391 27 H13 0.3950 -3.0758 1.8758 H 1 noname 0.0391 28 H14 1.7844 -3.8343 1.0617 H 1 noname 0.0391 29 H15 0.1437 3.3594 0.6734 H 1 noname 0.0625 30 H16 1.1015 1.6397 -3.1003 H 1 noname 0.0625 31 H17 0.1739 4.7158 -1.8144 H 1 noname 0.0279 32 H18 1.3508 3.9361 -2.8984 H 1 noname 0.0279 33 H19 1.8533 4.4722 -1.2772 H 1 noname 0.0279 @BOND 1 1 4 1 2 1 25 1 3 2 3 1 4 2 10 1 5 2 19 1 6 3 4 1 7 3 5 1 8 3 15 1 9 4 6 1 10 4 16 1 11 5 7 1 12 5 17 1 13 5 18 1 14 6 8 2 15 6 9 1 16 7 20 1 17 7 21 1 18 7 22 1 19 8 12 1 20 8 23 1 21 9 13 2 22 9 24 1 23 10 26 1 24 10 27 1 25 10 28 1 26 11 12 2 27 11 13 1 28 11 14 1 29 12 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 14 33 1 @SUBSTRUCTURE 1 noname 1