REMARK Name = BDB038935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.700 0.905 -0.145 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.617 0.184 -0.616 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.253 0.662 -0.412 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.171 -0.306 -0.814 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.471 -1.578 -1.349 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.445 -2.472 -1.674 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.099 -2.127 -1.520 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.198 -0.852 -1.022 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -1.374 -0.171 -0.751 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -1.026 1.035 -0.151 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.283 1.189 -0.150 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.910 -2.000 -1.504 0.00 0.00 +0.054 C ATOM 13 C LIG 1 0.811 0.035 -0.659 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.829 -0.793 -1.673 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.865 0.664 -0.437 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.986 2.045 0.440 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -1.606 3.479 0.032 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -0.416 4.053 0.813 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -0.640 3.939 2.322 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -0.896 2.491 2.727 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -2.082 1.897 1.969 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -0.195 5.493 0.395 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -0.631 6.470 0.985 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 0.524 5.600 -0.748 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 0.808 4.736 -1.107 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 6.415 2.689 1.195 0.00 0.00 +0.282 C ATOM 27 O LIG 1 5.326 1.923 0.679 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.738 -0.596 -1.073 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.900 -1.266 -2.443 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -3.463 -1.337 0.076 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.947 -2.711 0.449 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -3.563 -3.906 0.018 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -4.822 -3.916 -0.805 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -3.009 -5.140 0.402 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -1.873 -5.200 1.207 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.280 -4.027 1.653 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.817 -2.795 1.284 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7