REMARK Name = BDB043020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.838 -3.190 0.356 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.770 -1.810 0.396 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.582 -1.460 0.280 0.00 0.00 -0.200 N ATOM 4 C LIG 1 0.979 -0.093 0.281 0.00 0.00 +0.126 A ATOM 5 C LIG 1 0.007 0.832 0.396 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.420 0.381 0.520 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.363 -2.581 0.183 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.760 -0.880 0.518 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 0.504 -3.596 0.224 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.276 -4.851 -0.848 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -2.068 -4.042 0.434 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -2.039 -4.966 1.653 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.389 1.357 0.638 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -2.068 2.268 0.946 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.766 1.065 1.019 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -4.598 0.506 -0.152 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -4.581 1.426 -1.380 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -5.289 2.770 -1.091 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -6.364 2.695 -0.085 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -7.051 3.424 -0.276 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -7.020 1.389 -0.103 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -6.057 0.268 0.305 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -5.252 0.751 -2.458 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -5.087 1.265 -3.267 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 2.320 0.289 0.161 0.00 0.00 -0.325 N ATOM 26 H LIG 1 2.507 1.263 0.380 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.478 -0.580 0.290 0.00 0.00 +0.138 C BRANCH 27 28 ATOM 28 C LIG 1 4.731 0.264 0.223 0.00 0.00 -0.028 A ATOM 29 C LIG 1 5.305 0.766 1.406 0.00 0.00 +0.035 A ATOM 30 C LIG 1 6.449 1.574 1.324 0.00 0.00 +0.089 A ATOM 31 N LIG 1 7.173 2.168 2.329 0.00 0.00 -0.236 NA ATOM 32 C LIG 1 8.145 2.808 1.720 0.00 0.00 +0.200 A ATOM 33 N LIG 1 8.077 2.657 0.365 0.00 0.00 -0.333 N ATOM 34 C LIG 1 8.991 3.227 -0.592 0.00 0.00 +0.150 C ATOM 35 C LIG 1 6.991 1.868 0.075 0.00 0.00 +0.068 A ATOM 36 C LIG 1 6.441 1.396 -1.121 0.00 0.00 +0.028 A ATOM 37 C LIG 1 5.297 0.594 -1.020 0.00 0.00 +0.007 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 8