REMARK Name = BDB058606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.637 -3.867 -2.241 0.00 0.00 +0.089 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.461 -3.554 -1.420 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 0.726 -3.222 -2.217 0.00 0.00 +0.085 C ATOM 4 C LIG 1 2.061 -3.566 -1.546 0.00 0.00 +0.023 C ATOM 5 C LIG 1 2.051 -3.395 -0.021 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.799 -4.030 0.619 0.00 0.00 +0.023 C ATOM 7 C LIG 1 -0.200 -4.570 -0.407 0.00 0.00 +0.085 C BRANCH 5 8 ATOM 8 C LIG 1 2.283 -1.949 0.398 0.00 0.00 -0.044 A ATOM 9 C LIG 1 3.539 -1.560 0.881 0.00 0.00 +0.004 A ATOM 10 C LIG 1 3.772 -0.242 1.300 0.00 0.00 +0.010 A ATOM 11 C LIG 1 2.763 0.735 1.252 0.00 0.00 +0.000 A ATOM 12 C LIG 1 1.520 0.341 0.732 0.00 0.00 +0.010 A ATOM 13 C LIG 1 1.281 -0.975 0.314 0.00 0.00 +0.004 A BRANCH 11 14 ATOM 14 C LIG 1 2.975 2.113 1.741 0.00 0.00 +0.071 A ATOM 15 N LIG 1 2.326 3.099 1.066 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 2.478 4.369 1.504 0.00 0.00 +0.111 A ATOM 17 C LIG 1 3.244 4.723 2.599 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.898 3.713 3.289 0.00 0.00 +0.004 A ATOM 19 C LIG 1 3.768 2.394 2.856 0.00 0.00 +0.028 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -2.134 -2.705 -3.124 0.00 0.00 +0.053 C BRANCH 20 24 ATOM 21 N LIG 1 -2.630 0.484 -1.326 0.00 0.00 -0.220 N ATOM 22 N LIG 1 -3.784 -0.145 -0.975 0.00 0.00 -0.173 NA ATOM 23 C LIG 1 -3.719 -1.337 -1.567 0.00 0.00 +0.138 A ATOM 24 C LIG 1 -2.559 -1.508 -2.343 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -1.898 -0.308 -2.197 0.00 0.00 +0.120 A BRANCH 21 30 ATOM 26 O LIG 1 -2.820 5.726 1.691 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 -3.192 4.603 1.367 0.00 0.00 +0.259 A ATOM 28 C LIG 1 -2.437 3.767 0.412 0.00 0.00 +0.070 A ATOM 29 C LIG 1 -2.979 2.524 0.048 0.00 0.00 +0.122 A ATOM 30 C LIG 1 -2.218 1.780 -0.865 0.00 0.00 +0.180 A ATOM 31 N LIG 1 -1.020 2.228 -1.371 0.00 0.00 -0.234 NA ATOM 32 C LIG 1 -0.547 3.423 -0.966 0.00 0.00 +0.114 A ATOM 33 N LIG 1 -4.204 2.092 0.602 0.00 0.00 -0.233 NA ATOM 34 C LIG 1 -4.801 2.839 1.462 0.00 0.00 +0.200 A ATOM 35 C LIG 1 -1.220 4.233 -0.085 0.00 0.00 +0.035 A ATOM 36 N LIG 1 -4.338 4.053 1.869 0.00 0.00 -0.313 N ATOM 37 H LIG 1 -4.850 4.612 2.535 0.00 0.00 +0.170 HD ENDBRANCH 21 30 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 6