@MOLECULE DB01579 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3358 -1.5325 -1.1120 O.3 1 noname -0.3704 2 C1 -0.3531 -1.2445 -0.0578 C.3 1 noname 0.0979 3 C2 -1.0130 -1.4405 -2.5235 C.3 1 noname 0.0603 4 C3 -1.0802 -0.6175 1.0935 C.2 1 noname -0.0417 5 C4 0.8806 -0.4156 -0.5935 C.3 1 noname 0.0371 6 C5 -0.2596 -0.0982 -2.8133 C.3 1 noname 0.0219 7 C6 -1.1954 0.8189 1.2799 C.2 1 noname -0.0485 8 C7 -1.6453 -1.5158 2.0684 C.2 1 noname -0.0485 9 N1 0.3312 0.5359 -1.5925 N.3 1 noname -0.2984 10 C8 1.8704 -1.3597 -1.2789 C.3 1 noname -0.0467 11 C9 -1.8075 1.3515 2.4666 C.2 1 noname -0.0582 12 C10 -2.2652 -0.9939 3.2398 C.2 1 noname -0.0582 13 C11 1.3736 1.4808 -1.9901 C.3 1 noname -0.0128 14 C12 -2.3164 0.4250 3.4203 C.2 1 noname -0.0610 15 H1 0.0355 -2.1979 0.3001 H 1 noname 0.0671 16 H2 -0.3228 -2.2621 -2.7151 H 1 noname 0.0580 17 H3 -1.9739 -1.4048 -3.0368 H 1 noname 0.0580 18 H4 1.4143 0.1372 0.1796 H 1 noname 0.0494 19 H5 0.5943 -0.3476 -3.4431 H 1 noname 0.0454 20 H6 -1.0080 0.6116 -3.1658 H 1 noname 0.0454 21 H7 -0.8184 1.5046 0.5211 H 1 noname 0.0626 22 H8 -1.6037 -2.5947 1.9190 H 1 noname 0.0626 23 H9 2.4386 -1.9016 -0.5228 H 1 noname 0.0247 24 H10 1.3247 -2.0691 -1.9010 H 1 noname 0.0247 25 H11 2.5532 -0.7810 -1.9010 H 1 noname 0.0247 26 H12 -1.8834 2.4253 2.6379 H 1 noname 0.0622 27 H13 -2.6919 -1.6670 3.9834 H 1 noname 0.0622 28 H14 1.8397 1.9033 -1.1000 H 1 noname 0.0394 29 H15 2.1268 0.9623 -2.5834 H 1 noname 0.0394 30 H16 0.9314 2.2811 -2.5834 H 1 noname 0.0394 31 H17 -2.7662 0.8204 4.3311 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 5 10 1 10 6 9 1 11 7 11 1 12 8 12 2 13 9 13 1 14 11 14 2 15 12 14 1 16 2 15 1 17 3 16 1 18 3 17 1 19 5 18 1 20 6 19 1 21 6 20 1 22 7 21 1 23 8 22 1 24 10 23 1 25 10 24 1 26 10 25 1 27 11 26 1 28 12 27 1 29 13 28 1 30 13 29 1 31 13 30 1 32 14 31 1 @SUBSTRUCTURE 1 noname 1