REMARK Name = BDB034955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.689 1.549 0.286 0.00 0.00 +0.264 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -2.689 -0.062 -0.497 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -2.564 -1.338 0.080 0.00 0.00 -0.023 A ATOM 4 C LIG 1 -1.347 -1.662 0.706 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -0.300 -0.740 0.779 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.426 0.529 0.204 0.00 0.00 -0.010 A ATOM 7 C LIG 1 -1.634 0.864 -0.425 0.00 0.00 +0.018 A BRANCH 2 8 ATOM 8 C LIG 1 -3.922 0.344 -1.219 0.00 0.00 +0.164 C ATOM 9 O LIG 1 -4.363 -0.381 -2.106 0.00 0.00 -0.292 OA BRANCH 8 10 ATOM 10 C LIG 1 -4.559 1.659 -0.814 0.00 0.00 +0.082 C BRANCH 10 11 ATOM 11 C LIG 1 -6.023 1.731 -1.251 0.00 0.00 +0.036 C BRANCH 11 12 ATOM 12 C LIG 1 -6.724 2.972 -0.711 0.00 0.00 +0.160 C BRANCH 12 14 ATOM 13 C LIG 1 -6.669 5.327 -0.710 0.00 0.00 +0.193 C ATOM 14 O LIG 1 -6.025 4.136 -1.145 0.00 0.00 -0.383 OA ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 2 8 BRANCH 3 15 ATOM 15 C LIG 1 -3.667 -2.381 0.028 0.00 0.00 +0.120 C BRANCH 15 16 ATOM 16 N LIG 1 -3.929 -3.022 1.334 0.00 0.00 -0.294 NA ATOM 17 C LIG 1 -4.838 -4.181 1.188 0.00 0.00 +0.113 C ATOM 18 C LIG 1 -6.304 -3.855 1.509 0.00 0.00 +0.175 C ATOM 19 O LIG 1 -6.496 -3.375 2.848 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 -5.330 -2.740 3.389 0.00 0.00 +0.175 C ATOM 21 C LIG 1 -4.483 -2.051 2.309 0.00 0.00 +0.113 C ENDBRANCH 15 16 ENDBRANCH 3 15 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 O LIG 1 1.992 0.961 0.345 0.00 0.00 -0.487 OA BRANCH 22 23 ATOM 23 C LIG 1 2.627 0.684 -0.829 0.00 0.00 +0.126 A ATOM 24 C LIG 1 3.979 0.405 -0.734 0.00 0.00 +0.024 A ATOM 25 C LIG 1 4.862 0.394 0.468 0.00 0.00 +0.148 C ATOM 26 N LIG 1 6.142 -0.044 -0.075 0.00 0.00 -0.281 N ATOM 27 C LIG 1 6.115 -0.125 -1.459 0.00 0.00 +0.248 C ATOM 28 O LIG 1 7.038 -0.327 -2.223 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 4.726 0.106 -1.871 0.00 0.00 +0.045 A ATOM 30 C LIG 1 4.176 0.063 -3.136 0.00 0.00 +0.013 A ATOM 31 C LIG 1 2.812 0.325 -3.244 0.00 0.00 +0.004 A ATOM 32 C LIG 1 2.043 0.629 -2.101 0.00 0.00 +0.046 A BRANCH 26 33 ATOM 33 C LIG 1 7.362 0.012 0.723 0.00 0.00 +0.163 C ATOM 34 C LIG 1 8.045 1.383 0.599 0.00 0.00 +0.240 C ATOM 35 O LIG 1 7.432 2.434 0.414 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 9.401 1.403 0.830 0.00 0.00 -0.255 N ATOM 37 H LIG 1 9.843 2.311 0.782 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 10.206 0.362 1.221 0.00 0.00 +0.219 C ATOM 39 O LIG 1 11.378 0.552 1.531 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 9.551 -0.994 1.340 0.00 0.00 +0.098 C ATOM 41 C LIG 1 8.351 -1.111 0.413 0.00 0.00 +0.041 C ENDBRANCH 26 33 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11