REMARK Name = BDB011265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.293 -1.311 0.194 0.00 0.00 +0.057 A ATOM 2 N LIG 1 -1.570 -0.200 0.637 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.252 -0.549 0.608 0.00 0.00 +0.057 A ATOM 4 C LIG 1 1.047 0.117 0.889 0.00 0.00 +0.154 C ATOM 5 N LIG 1 1.948 -1.045 0.643 0.00 0.00 -0.282 N ATOM 6 C LIG 1 1.274 -2.201 0.206 0.00 0.00 +0.249 C ATOM 7 O LIG 1 1.744 -3.285 -0.094 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.116 -1.845 0.208 0.00 0.00 +0.060 A ATOM 9 C LIG 1 -1.387 -2.346 -0.057 0.00 0.00 +0.041 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 1.315 1.305 -0.015 0.00 0.00 -0.021 A ATOM 11 C LIG 1 1.285 1.192 -1.417 0.00 0.00 +0.007 A ATOM 12 C LIG 1 1.515 2.304 -2.231 0.00 0.00 +0.020 A ATOM 13 C LIG 1 1.774 3.542 -1.652 0.00 0.00 +0.041 A ATOM 14 CL LIG 1 2.058 4.913 -2.652 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 1.803 3.679 -0.267 0.00 0.00 +0.020 A ATOM 16 C LIG 1 1.572 2.567 0.547 0.00 0.00 +0.007 A ENDBRANCH 4 10 BRANCH 1 18 ATOM 17 C LIG 1 -4.419 -0.959 -1.108 0.00 0.00 +0.228 A ATOM 18 C LIG 1 -3.742 -1.375 0.026 0.00 0.00 +0.078 A ATOM 19 C LIG 1 -4.551 -1.936 0.990 0.00 0.00 +0.129 A ATOM 20 N LIG 1 -5.893 -2.036 0.887 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 -6.438 -1.562 -0.235 0.00 0.00 +0.216 A ATOM 22 N LIG 1 -5.758 -1.039 -1.256 0.00 0.00 -0.179 NA BRANCH 21 23 ATOM 23 N LIG 1 -7.807 -1.664 -0.365 0.00 0.00 -0.327 N ATOM 24 H LIG 1 -8.058 -1.701 -1.343 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -8.149 -2.407 0.229 0.00 0.00 +0.145 HD ENDBRANCH 21 23 BRANCH 17 27 ATOM 26 C LIG 1 -4.438 -0.036 -3.269 0.00 0.00 +0.279 C ATOM 27 O LIG 1 -3.664 -0.433 -2.143 0.00 0.00 -0.479 OA ENDBRANCH 17 27 ENDBRANCH 1 18 BRANCH 5 28 ATOM 28 C LIG 1 3.393 -1.057 0.881 0.00 0.00 +0.078 C ATOM 29 C LIG 1 3.882 -0.029 1.907 0.00 0.00 +0.025 C ATOM 30 C LIG 1 5.371 -0.198 2.240 0.00 0.00 +0.033 C ATOM 31 C LIG 1 6.205 -0.727 1.070 0.00 0.00 +0.115 C ATOM 32 C LIG 1 5.585 -0.370 -0.277 0.00 0.00 +0.033 C ATOM 33 C LIG 1 4.178 -0.952 -0.442 0.00 0.00 +0.025 C BRANCH 31 34 ATOM 34 O LIG 1 6.293 -2.145 1.190 0.00 0.00 -0.392 OA ATOM 35 H LIG 1 6.811 -2.478 0.436 0.00 0.00 +0.210 HD ENDBRANCH 31 34 ENDBRANCH 5 28 BRANCH 2 36 ATOM 36 C LIG 1 -2.058 1.107 1.079 0.00 0.00 +0.081 C ATOM 37 C LIG 1 -3.070 1.034 2.222 0.00 0.00 +0.030 C ATOM 38 C LIG 1 -2.557 1.980 -0.070 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 7