@MOLECULE 91710915 31 31 1 SMALL USER_CHARGES @ATOM 1 O1 0.1136 -3.1710 -0.5381 O.2 1 noname -0.2916 2 N1 -1.9224 -1.1592 -0.6019 N.3 1 noname -0.3068 3 C1 -0.7632 -1.1545 0.2890 C.3 1 noname 0.0915 4 C2 1.5952 -1.3490 -0.6027 C.3 1 noname 0.0078 5 C3 0.3045 -1.9593 -0.2974 C.2 1 noname 0.1481 6 C4 -0.2951 0.2164 0.4713 C.2 1 noname -0.0443 7 C5 2.5177 -1.4725 0.6116 C.3 1 noname -0.0492 8 C6 0.1219 0.9602 -0.6264 C.2 1 noname -0.0503 9 C7 -0.2665 0.7777 1.7426 C.2 1 noname -0.0503 10 C8 3.8703 -0.8328 0.2917 C.3 1 noname -0.0650 11 C9 -2.9916 -0.3533 -0.0147 C.3 1 noname -0.0154 12 C10 0.5675 2.2653 -0.4529 C.2 1 noname -0.0587 13 C11 0.1791 2.0829 1.9161 C.2 1 noname -0.0587 14 C12 0.5961 2.8267 0.8184 C.2 1 noname -0.0612 15 H1 -1.0454 -1.5735 1.2548 H 1 noname 0.0598 16 H2 1.4511 -0.2958 -0.8439 H 1 noname 0.0347 17 H3 2.0457 -1.8585 -1.4545 H 1 noname 0.0347 18 H4 2.0673 -0.9630 1.4634 H 1 noname 0.0268 19 H5 2.6618 -2.5256 0.8528 H 1 noname 0.0268 20 H6 -2.2500 -2.1188 -0.7295 H 1 noname 0.1229 21 H7 0.1009 0.5483 -1.5593 H 1 noname 0.0626 22 H8 -0.5725 0.2319 2.5481 H 1 noname 0.0626 23 H9 4.5275 -0.9208 1.1568 H 1 noname 0.0230 24 H10 3.7262 0.2203 0.0505 H 1 noname 0.0230 25 H11 4.3208 -1.3423 -0.5601 H 1 noname 0.0230 26 H12 -3.8558 -0.3568 -0.6788 H 1 noname 0.0391 27 H13 -3.2738 -0.7723 0.9512 H 1 noname 0.0391 28 H14 -2.6421 0.6702 0.1214 H 1 noname 0.0391 29 H15 0.8735 2.8112 -1.2584 H 1 noname 0.0622 30 H16 0.2001 2.4948 2.8490 H 1 noname 0.0622 31 H17 0.9231 3.7844 0.9458 H 1 noname 0.0622 @BOND 1 1 5 2 2 2 3 1 3 2 11 1 4 2 20 1 5 3 5 1 6 3 6 1 7 3 15 1 8 4 5 1 9 4 7 1 10 4 16 1 11 4 17 1 12 6 8 2 13 6 9 1 14 7 10 1 15 7 18 1 16 7 19 1 17 8 12 1 18 8 21 1 19 9 13 2 20 9 22 1 21 10 23 1 22 10 24 1 23 10 25 1 24 11 26 1 25 11 27 1 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