REMARK Name = BDB056582 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.428 2.167 0.135 0.00 0.00 +0.064 A ATOM 2 N LIG 1 -3.014 0.834 0.244 0.00 0.00 -0.245 N ATOM 3 C LIG 1 -3.825 -0.264 0.613 0.00 0.00 +0.421 C ATOM 4 O LIG 1 -4.881 -0.111 1.202 0.00 0.00 -0.223 OA ATOM 5 C LIG 1 -1.627 0.803 -0.010 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -1.180 2.118 -0.140 0.00 0.00 +0.019 A ATOM 7 C LIG 1 0.179 2.362 -0.356 0.00 0.00 +0.123 A ATOM 8 N LIG 1 1.064 1.343 -0.437 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 0.647 0.071 -0.310 0.00 0.00 +0.125 A ATOM 10 C LIG 1 -0.694 -0.248 -0.080 0.00 0.00 +0.070 A ATOM 11 C LIG 1 -2.306 2.958 -0.017 0.00 0.00 +0.038 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -7.263 5.476 0.002 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -6.502 4.252 0.035 0.00 0.00 -0.274 N ATOM 14 N LIG 1 -7.144 3.074 0.018 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -6.154 2.176 0.071 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -4.878 2.774 0.110 0.00 0.00 +0.036 A ATOM 17 C LIG 1 -5.144 4.127 0.071 0.00 0.00 +0.118 A ENDBRANCH 1 16 BRANCH 9 18 ATOM 18 N LIG 1 1.562 -1.006 -0.377 0.00 0.00 -0.298 N ATOM 19 H LIG 1 1.202 -1.725 -1.001 0.00 0.00 +0.154 HD BRANCH 18 20 ATOM 20 C LIG 1 2.977 -0.963 -0.435 0.00 0.00 +0.051 A ATOM 21 C LIG 1 3.694 -2.007 -1.051 0.00 0.00 +0.063 A ATOM 22 CL LIG 1 2.851 -3.313 -1.821 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 5.094 -2.026 -1.076 0.00 0.00 +0.032 A ATOM 24 C LIG 1 5.827 -1.004 -0.464 0.00 0.00 +0.004 A ATOM 25 C LIG 1 5.120 0.024 0.177 0.00 0.00 +0.012 A ATOM 26 C LIG 1 3.719 0.038 0.199 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 C LIG 1 7.295 -1.002 -0.478 0.00 0.00 +0.093 A ATOM 28 N LIG 1 8.004 -0.111 0.237 0.00 0.00 -0.171 NA ATOM 29 N LIG 1 9.288 -0.407 -0.016 0.00 0.00 -0.274 N ATOM 30 C LIG 1 10.330 0.372 0.606 0.00 0.00 +0.172 C ATOM 31 C LIG 1 9.447 -1.454 -0.869 0.00 0.00 +0.108 A ATOM 32 C LIG 1 8.175 -1.865 -1.190 0.00 0.00 +0.049 A ENDBRANCH 24 27 ENDBRANCH 18 20 ENDBRANCH 9 18 BRANCH 3 33 ATOM 33 O LIG 1 -3.265 -1.435 0.228 0.00 0.00 -0.442 OA BRANCH 33 34 ATOM 34 C LIG 1 -3.933 -2.694 0.499 0.00 0.00 +0.107 C ATOM 35 C LIG 1 -5.285 -2.772 -0.220 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -4.069 -2.937 2.006 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -3.002 -3.766 -0.089 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 6