REMARK Name = BDB011358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.108 -0.327 -0.749 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.044 0.264 -0.059 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.048 -0.535 -0.250 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.483 -0.539 0.147 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -1.927 -1.821 -0.524 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -0.853 -2.451 -1.216 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -0.825 -3.495 -1.845 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.290 -1.606 -1.016 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.639 -1.502 -1.340 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.222 -2.338 -0.406 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.116 -1.864 0.484 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.402 -2.369 0.615 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.278 -1.783 1.618 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -5.875 -3.428 -0.164 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.001 -3.906 -0.050 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -4.901 -3.950 -1.172 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -5.411 -5.223 -2.215 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -3.671 -3.424 -1.265 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.236 0.697 -0.345 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -2.792 1.654 0.539 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -2.744 1.526 2.040 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -3.480 2.763 0.008 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -3.598 2.943 -1.368 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -4.434 4.314 -1.983 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -3.042 2.022 -2.244 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.370 0.910 -1.737 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 30 ATOM 27 C LIG 1 5.997 1.136 -1.093 0.00 0.00 +0.321 A ATOM 28 N LIG 1 5.758 0.303 -0.069 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 4.496 -0.162 0.028 0.00 0.00 +0.230 A ATOM 30 C LIG 1 3.470 0.192 -0.836 0.00 0.00 +0.078 A ATOM 31 C LIG 1 3.852 1.038 -1.857 0.00 0.00 +0.131 A ATOM 32 N LIG 1 5.097 1.533 -2.001 0.00 0.00 -0.202 NA BRANCH 27 34 ATOM 33 C LIG 1 8.204 1.179 -0.327 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.257 1.667 -1.267 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 4.182 -1.023 1.066 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 5.308 -1.408 1.848 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 BRANCH 2 37 ATOM 37 C LIG 1 1.037 1.511 0.705 0.00 0.00 +0.081 C ATOM 38 C LIG 1 1.115 2.749 -0.187 0.00 0.00 +0.030 C ATOM 39 C LIG 1 2.057 1.559 1.843 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6