REMARK Name = BDB024615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.704 -0.894 0.562 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.452 -1.423 0.198 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.396 -2.897 0.184 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.409 -3.460 1.616 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.225 -3.451 -0.622 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.925 -2.866 -0.116 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.995 -1.367 -0.156 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.805 -0.620 -0.326 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.483 -1.075 -0.434 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.243 -0.011 -0.597 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.480 1.145 -0.578 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.843 0.762 -0.428 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.048 1.460 -0.389 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.223 0.715 -0.201 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.231 -0.679 -0.031 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.738 -1.562 0.569 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.958 2.516 -0.747 0.00 0.00 +0.093 C ATOM 18 C LIG 1 -0.596 3.448 0.423 0.00 0.00 +0.053 C ATOM 19 C LIG 1 -0.346 4.872 -0.055 0.00 0.00 +0.162 C ATOM 20 O LIG 1 -1.294 5.212 -1.060 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -1.098 4.507 -2.284 0.00 0.00 +0.162 C ATOM 22 C LIG 1 -0.539 3.100 -2.100 0.00 0.00 +0.053 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 6.952 0.905 1.414 0.00 0.00 +0.282 C ATOM 24 O LIG 1 5.687 0.400 0.986 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.729 -0.102 -0.781 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.401 -0.752 0.442 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.795 -1.249 0.084 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.879 -0.366 -0.042 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -7.147 -0.846 -0.374 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.344 -2.208 -0.594 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.273 -3.092 -0.486 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.004 -2.617 -0.152 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -3.423 0.205 1.630 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -3.056 1.371 1.599 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.915 -0.354 2.764 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -4.222 -1.274 2.638 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7