REMARK Name = BDB004886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.055 -1.294 0.109 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.216 -0.471 0.302 0.00 0.00 -0.024 A ATOM 3 C LIG 1 1.296 -0.507 -0.599 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.435 0.303 -0.439 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.494 1.120 0.693 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.431 1.182 1.597 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.297 0.401 1.397 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.490 0.146 -1.341 0.00 0.00 -0.340 N ATOM 9 H LIG 1 3.174 -0.203 -2.241 0.00 0.00 +0.146 HD BRANCH 8 10 ATOM 10 C LIG 1 4.535 1.157 -1.472 0.00 0.00 +0.136 C BRANCH 10 11 ATOM 11 C LIG 1 5.668 0.979 -0.484 0.00 0.00 -0.030 A ATOM 12 C LIG 1 6.419 2.097 -0.085 0.00 0.00 +0.006 A ATOM 13 C LIG 1 7.492 1.958 0.799 0.00 0.00 +0.015 A ATOM 14 C LIG 1 7.830 0.697 1.283 0.00 0.00 +0.018 A ATOM 15 BR LIG 1 9.281 0.508 2.480 0.00 0.00 -0.050 Br ATOM 16 C LIG 1 7.108 -0.427 0.889 0.00 0.00 +0.015 A ATOM 17 C LIG 1 6.036 -0.285 0.004 0.00 0.00 +0.006 A ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 N LIG 1 -2.025 -0.461 -0.633 0.00 0.00 -0.320 N ATOM 19 H LIG 1 -1.537 0.274 -1.139 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.100 0.110 0.075 0.00 0.00 +0.130 A ATOM 21 C LIG 1 -4.020 0.933 -0.612 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -5.070 1.484 0.149 0.00 0.00 +0.088 A ATOM 23 C LIG 1 -5.989 2.323 -0.517 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -5.873 2.591 -1.894 0.00 0.00 +0.015 A ATOM 25 C LIG 1 -4.848 2.031 -2.638 0.00 0.00 +0.002 A ATOM 26 N LIG 1 -5.178 1.202 1.466 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 -4.271 0.382 2.008 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -3.930 1.207 -2.002 0.00 0.00 +0.013 A ATOM 29 N LIG 1 -3.243 -0.179 1.376 0.00 0.00 -0.220 NA BRANCH 23 30 ATOM 30 C LIG 1 -7.145 2.983 0.170 0.00 0.00 +0.244 C ATOM 31 O LIG 1 -7.938 3.690 -0.443 0.00 0.00 -0.270 OA ATOM 32 N LIG 1 -7.307 2.785 1.509 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -6.677 2.178 2.026 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -8.097 3.207 1.975 0.00 0.00 +0.145 HD ENDBRANCH 23 30 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 35 ATOM 35 C LIG 1 -0.898 -2.642 -0.679 0.00 0.00 +0.110 C BRANCH 35 37 ATOM 36 C LIG 1 -0.167 -4.055 1.170 0.00 0.00 +0.104 C ATOM 37 N LIG 1 0.115 -3.607 -0.193 0.00 0.00 -0.306 NA ATOM 38 C LIG 1 0.186 -4.758 -1.095 0.00 0.00 +0.104 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 9