REMARK Name = BDB010527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.393 1.312 0.535 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.879 0.273 -0.220 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -1.543 -0.876 0.154 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.366 -0.458 1.192 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -3.168 -1.269 1.899 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -3.097 -2.546 1.511 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -2.346 -3.050 0.509 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.562 -2.216 -0.211 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.273 0.882 1.405 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -1.480 3.997 -1.604 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -2.019 3.481 -0.268 0.00 0.00 +0.099 C ATOM 12 N LIG 1 -0.980 2.597 0.357 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.415 3.194 1.600 0.00 0.00 +0.136 C ATOM 14 C LIG 1 -0.135 4.689 1.402 0.00 0.00 +0.179 C ATOM 15 O LIG 1 -1.294 5.462 1.055 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -2.409 4.652 0.661 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -3.931 -3.515 2.251 0.00 0.00 +0.287 A ATOM 18 O LIG 1 -4.694 -3.003 3.251 0.00 0.00 -0.385 OA ATOM 19 C LIG 1 -5.346 -4.084 3.754 0.00 0.00 +0.436 A ATOM 20 O LIG 1 -6.142 -4.075 4.675 0.00 0.00 -0.221 OA ATOM 21 N LIG 1 -4.927 -5.160 3.024 0.00 0.00 -0.208 N ATOM 22 H LIG 1 -5.234 -6.114 3.156 0.00 0.00 +0.195 HD ATOM 23 N LIG 1 -4.029 -4.801 2.070 0.00 0.00 -0.127 NA ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 C LIG 1 -0.827 -2.821 -1.306 0.00 0.00 +0.022 A ATOM 25 C LIG 1 0.227 -3.714 -1.075 0.00 0.00 +0.033 A ATOM 26 C LIG 1 0.910 -4.274 -2.150 0.00 0.00 +0.060 A ATOM 27 CL LIG 1 2.222 -5.347 -1.885 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 0.513 -3.937 -3.434 0.00 0.00 +0.130 A ATOM 29 N LIG 1 -0.511 -3.093 -3.705 0.00 0.00 -0.261 NA ATOM 30 C LIG 1 -1.166 -2.576 -2.638 0.00 0.00 +0.120 A ENDBRANCH 8 24 BRANCH 2 31 ATOM 31 C LIG 1 0.187 0.422 -1.195 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.591 0.616 -0.589 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.594 0.948 -1.706 0.00 0.00 +0.005 C ATOM 34 C LIG 1 4.010 1.130 -1.163 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.475 -0.097 -0.371 0.00 0.00 -0.014 C ATOM 36 C LIG 1 5.871 0.129 0.205 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.477 -0.432 0.744 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.062 -0.616 0.198 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 5