REMARK Name = BDB056590 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.463 -1.445 -0.322 0.00 0.00 +0.064 A ATOM 2 N LIG 1 -1.872 -0.180 -0.270 0.00 0.00 -0.245 N ATOM 3 C LIG 1 -2.486 1.076 -0.068 0.00 0.00 +0.421 C ATOM 4 O LIG 1 -1.918 2.116 -0.361 0.00 0.00 -0.223 OA ATOM 5 C LIG 1 -0.485 -0.365 -0.382 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -0.220 -1.728 -0.269 0.00 0.00 +0.019 A ATOM 7 C LIG 1 1.108 -2.163 -0.281 0.00 0.00 +0.123 A ATOM 8 N LIG 1 2.126 -1.279 -0.399 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 1.875 0.040 -0.515 0.00 0.00 +0.125 A ATOM 10 C LIG 1 0.576 0.549 -0.497 0.00 0.00 +0.070 A ATOM 11 C LIG 1 -1.465 -2.390 -0.185 0.00 0.00 +0.038 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -6.754 -4.097 -0.790 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -5.791 -3.023 -0.771 0.00 0.00 -0.274 N ATOM 14 N LIG 1 -6.182 -1.778 -1.094 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -5.061 -1.060 -0.979 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -3.960 -1.833 -0.564 0.00 0.00 +0.036 A ATOM 17 C LIG 1 -4.464 -3.112 -0.465 0.00 0.00 +0.118 A ENDBRANCH 1 16 BRANCH 9 18 ATOM 18 N LIG 1 2.932 0.975 -0.628 0.00 0.00 -0.298 N ATOM 19 H LIG 1 2.726 1.640 -1.370 0.00 0.00 +0.154 HD BRANCH 18 20 ATOM 20 C LIG 1 4.326 0.752 -0.526 0.00 0.00 +0.051 A ATOM 21 C LIG 1 5.232 1.591 -1.203 0.00 0.00 +0.063 A ATOM 22 CL LIG 1 4.652 2.855 -2.237 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 6.618 1.429 -1.078 0.00 0.00 +0.033 A ATOM 24 C LIG 1 7.147 0.430 -0.253 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.251 -0.391 0.445 0.00 0.00 +0.013 A ATOM 26 C LIG 1 4.864 -0.225 0.317 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 C LIG 1 8.588 0.261 -0.123 0.00 0.00 +0.155 A ATOM 28 O LIG 1 9.033 -0.731 0.715 0.00 0.00 -0.442 OA ATOM 29 C LIG 1 10.389 -0.653 0.635 0.00 0.00 +0.308 A ATOM 30 N LIG 1 10.849 0.282 -0.163 0.00 0.00 -0.224 NA ATOM 31 C LIG 1 9.708 0.869 -0.651 0.00 0.00 +0.160 A ENDBRANCH 24 27 ENDBRANCH 18 20 ENDBRANCH 9 18 BRANCH 3 32 ATOM 32 O LIG 1 -3.668 0.930 0.574 0.00 0.00 -0.442 OA BRANCH 32 33 ATOM 33 C LIG 1 -4.387 2.094 1.062 0.00 0.00 +0.107 C ATOM 34 C LIG 1 -4.819 3.011 -0.087 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -3.562 2.848 2.112 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -5.643 1.529 1.743 0.00 0.00 +0.055 C ENDBRANCH 32 33 ENDBRANCH 3 32 TORSDOF 6