REMARK Name = BDB005330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.825 -0.936 -0.944 0.00 0.00 +0.149 A ATOM 2 N LIG 1 -1.026 0.192 -0.730 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.253 -0.257 -0.833 0.00 0.00 +0.077 A ATOM 4 C LIG 1 1.629 0.264 -0.707 0.00 0.00 +0.161 C ATOM 5 N LIG 1 2.395 -0.984 -1.057 0.00 0.00 -0.248 N ATOM 6 C LIG 1 1.531 -2.093 -1.309 0.00 0.00 +0.272 C ATOM 7 O LIG 1 1.818 -3.240 -1.615 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.197 -1.569 -1.157 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.081 -1.998 -1.252 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.792 -1.028 -1.127 0.00 0.00 +0.104 A ATOM 11 C LIG 1 4.601 0.265 -1.268 0.00 0.00 +0.273 A ATOM 12 O LIG 1 4.046 1.343 -1.484 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 5.992 0.153 -1.179 0.00 0.00 -0.315 N ATOM 14 C LIG 1 6.804 1.356 -1.288 0.00 0.00 +0.152 C ATOM 15 C LIG 1 6.631 -1.071 -1.126 0.00 0.00 +0.108 A ATOM 16 C LIG 1 5.935 -2.210 -1.096 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 6.733 -3.734 -1.037 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 4.495 -2.177 -1.079 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 1.912 0.771 0.700 0.00 0.00 -0.021 A ATOM 20 C LIG 1 1.857 -0.078 1.821 0.00 0.00 +0.007 A ATOM 21 C LIG 1 2.098 0.417 3.105 0.00 0.00 +0.020 A ATOM 22 C LIG 1 2.396 1.765 3.283 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 2.692 2.376 4.863 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 2.457 2.623 2.187 0.00 0.00 +0.020 A ATOM 25 C LIG 1 2.214 2.128 0.904 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 -5.982 -1.099 -0.858 0.00 0.00 +0.321 A ATOM 27 N LIG 1 -5.358 -1.061 0.329 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 -4.010 -1.024 0.286 0.00 0.00 +0.231 A ATOM 29 C LIG 1 -3.276 -0.982 -0.886 0.00 0.00 +0.097 A ATOM 30 C LIG 1 -4.031 -1.058 -2.037 0.00 0.00 +0.133 A ATOM 31 N LIG 1 -5.379 -1.095 -2.054 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 -7.964 -1.240 0.369 0.00 0.00 +0.280 C ATOM 33 O LIG 1 -7.359 -1.125 -0.911 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 -3.309 -1.006 1.479 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 -4.127 -1.217 2.625 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 -1.400 1.585 -0.510 0.00 0.00 +0.083 C ATOM 37 C LIG 1 -1.875 1.863 0.913 0.00 0.00 +0.030 C ATOM 38 C LIG 1 -2.374 2.136 -1.552 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6