@MOLECULE 71750191 31 31 1 SMALL USER_CHARGES @ATOM 1 O1 -1.8362 -1.1715 -0.7960 O.2 1 noname -0.2921 2 N1 1.2674 -2.5809 0.4437 N.3 1 noname -0.3102 3 C1 -0.0572 -2.4133 -0.1708 C.3 1 noname 0.0706 4 C2 -1.0256 -3.4420 0.4164 C.3 1 noname -0.0305 5 C3 -1.1348 -3.2347 1.9284 C.3 1 noname -0.0542 6 C4 -0.7236 -1.0856 -0.2354 C.2 1 noname 0.1001 7 C5 -0.2614 0.1984 0.2431 C.2 1 noname -0.0180 8 C6 -2.1032 -4.2634 2.5156 C.3 1 noname -0.0653 9 C7 1.7640 -3.9287 0.1712 C.3 1 noname -0.0157 10 C8 0.9934 0.3875 0.8934 C.2 1 noname -0.0178 11 C9 -1.0775 1.3679 0.0742 C.2 1 noname -0.0178 12 C10 1.4360 1.6362 1.3554 C.2 1 noname -0.0479 13 C11 -0.6401 2.6348 0.5371 C.2 1 noname -0.0479 14 C12 0.6100 2.7643 1.1735 C.2 1 noname -0.0401 15 H1 0.0129 -2.7463 -1.2063 H 1 noname 0.0550 16 H2 -2.0079 -3.3177 -0.0392 H 1 noname 0.0287 17 H3 -0.6554 -4.4468 0.2133 H 1 noname 0.0287 18 H4 -1.5050 -2.2298 2.1315 H 1 noname 0.0264 19 H5 -0.1524 -3.3590 2.3841 H 1 noname 0.0264 20 H6 1.9143 -1.8937 0.0514 H 1 noname 0.1226 21 H7 -2.1810 -4.1157 3.5927 H 1 noname 0.0230 22 H8 -3.0856 -4.1391 2.0599 H 1 noname 0.0230 23 H9 -1.7330 -5.2683 2.3124 H 1 noname 0.0230 24 H10 2.7464 -4.0530 0.6268 H 1 noname 0.0391 25 H11 1.0741 -4.6616 0.5895 H 1 noname 0.0391 26 H12 1.8418 -4.0764 -0.9060 H 1 noname 0.0391 27 H13 1.6488 -0.3670 1.0654 H 1 noname 0.0630 28 H14 -2.0092 1.3202 -0.3906 H 1 noname 0.0630 29 H15 2.3440 1.7259 1.8168 H 1 noname 0.0622 30 H16 -1.2447 3.4647 0.4048 H 1 noname 0.0622 31 H17 0.9435 3.6828 1.5171 H 1 noname 0.0622 @BOND 1 1 6 2 2 2 3 1 3 2 9 1 4 2 20 1 5 3 4 1 6 3 6 1 7 3 15 1 8 4 5 1 9 4 16 1 10 4 17 1 11 5 8 1 12 5 18 1 13 5 19 1 14 6 7 1 15 7 10 2 16 7 11 1 17 8 21 1 18 8 22 1 19 8 23 1 20 9 24 1 21 9 25 1 22 9 26 1 23 10 12 1 24 10 27 1 25 11 13 2 26 11 28 1 27 12 14 2 28 12 29 1 29 13 14 1 30 13 30 1 31 14 31 1 @SUBSTRUCTURE 1 noname 1