REMARK Name = BDB041136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.201 -2.518 -1.690 0.00 0.00 +0.178 A ATOM 2 C LIG 1 1.935 -1.331 -1.003 0.00 0.00 +0.165 A ATOM 3 N LIG 1 2.914 -0.587 -0.455 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 4.175 -1.042 -0.566 0.00 0.00 +0.169 A ATOM 5 N LIG 1 4.535 -2.170 -1.205 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 3.529 -2.884 -1.750 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 5.232 -0.229 0.005 0.00 0.00 +0.102 A ATOM 8 C LIG 1 6.176 0.427 -0.784 0.00 0.00 +0.062 A ATOM 9 N LIG 1 7.167 1.176 -0.230 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 7.195 1.273 1.103 0.00 0.00 +0.225 A ATOM 11 N LIG 1 6.340 0.696 1.948 0.00 0.00 -0.201 NA ATOM 12 C LIG 1 5.371 -0.047 1.374 0.00 0.00 +0.229 A BRANCH 8 13 ATOM 13 C LIG 1 6.156 0.343 -2.302 0.00 0.00 +0.039 C ATOM 14 C LIG 1 5.053 1.021 -3.083 0.00 0.00 +0.010 C ATOM 15 C LIG 1 6.445 1.571 -3.136 0.00 0.00 +0.010 C ENDBRANCH 8 13 BRANCH 12 16 ATOM 16 O LIG 1 4.473 -0.700 2.202 0.00 0.00 -0.479 OA ATOM 17 C LIG 1 4.659 -0.421 3.586 0.00 0.00 +0.279 C ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 1.446 -4.321 -3.039 0.00 0.00 +0.277 C ATOM 19 O LIG 1 1.140 -3.211 -2.203 0.00 0.00 -0.490 OA ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 N LIG 1 0.607 -0.858 -0.961 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -0.020 -1.647 -0.825 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 0.374 0.222 -0.016 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 -1.108 0.528 0.024 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -1.878 0.209 1.153 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -3.253 0.482 1.181 0.00 0.00 -0.033 A ATOM 26 C LIG 1 -4.071 0.179 2.403 0.00 0.00 +0.055 C ATOM 27 C LIG 1 -5.513 -0.110 2.006 0.00 0.00 +0.113 C ATOM 28 N LIG 1 -6.075 0.948 1.171 0.00 0.00 -0.295 N ATOM 29 C LIG 1 -5.319 1.433 0.094 0.00 0.00 +0.247 C ATOM 30 O LIG 1 -5.783 2.108 -0.819 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -3.862 1.097 0.077 0.00 0.00 +0.040 A ATOM 32 C LIG 1 -3.099 1.416 -1.051 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -1.733 1.128 -1.079 0.00 0.00 +0.006 A BRANCH 28 34 ATOM 34 C LIG 1 -7.539 1.117 1.184 0.00 0.00 +0.070 C ATOM 35 C LIG 1 -8.225 0.338 0.061 0.00 0.00 +0.028 C ATOM 36 C LIG 1 -7.965 2.587 1.191 0.00 0.00 +0.028 C ENDBRANCH 28 34 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 2 20 TORSDOF 8