REMARK Name = BDB020511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.328 -0.701 1.850 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -2.871 -0.528 0.406 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -1.576 0.119 0.336 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -0.398 -0.571 0.237 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.574 0.406 0.220 0.00 0.00 +0.094 A ATOM 6 N LIG 1 0.003 1.657 0.266 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -0.406 -2.041 0.164 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -1.613 -2.488 -0.519 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -1.585 -3.829 -1.077 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -1.295 1.455 0.332 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -2.851 -1.889 -0.294 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -3.913 -2.428 -0.617 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 1.999 0.263 0.136 0.00 0.00 +0.006 A ATOM 14 C LIG 1 2.735 1.125 -0.612 0.00 0.00 +0.037 A ATOM 15 C LIG 1 4.146 0.980 -0.708 0.00 0.00 +0.066 A ATOM 16 N LIG 1 4.742 -0.050 -0.003 0.00 0.00 -0.306 N ATOM 17 C LIG 1 6.087 0.028 -0.259 0.00 0.00 +0.204 A ATOM 18 N LIG 1 6.380 1.021 -1.072 0.00 0.00 -0.243 NA ATOM 19 C LIG 1 4.027 -0.936 0.793 0.00 0.00 +0.093 A ATOM 20 C LIG 1 5.177 1.622 -1.354 0.00 0.00 +0.138 A ATOM 21 C LIG 1 2.691 -0.804 0.882 0.00 0.00 +0.028 A ENDBRANCH 5 13 BRANCH 10 22 ATOM 22 C LIG 1 -2.332 2.610 0.411 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -2.068 3.875 -0.362 0.00 0.00 +0.012 C ATOM 24 C LIG 1 -3.152 2.940 -0.809 0.00 0.00 +0.012 C ENDBRANCH 10 22 TORSDOF 2