REMARK Name = BDB031825 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.402 -1.391 1.662 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.475 -0.702 2.467 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.208 -0.421 1.942 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.190 -0.800 0.668 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.536 -0.327 0.538 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.921 0.315 1.645 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.725 -1.505 -0.136 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.873 0.225 2.470 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.957 0.638 3.391 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.999 -1.793 0.377 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.662 1.555 -1.187 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.327 0.857 -0.017 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.101 -0.223 0.380 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.041 -1.166 1.548 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.783 -1.732 2.175 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.244 -2.062 1.357 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.869 -1.661 0.190 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.707 -2.100 -0.157 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.580 -2.963 2.107 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.617 -0.703 2.912 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.214 -0.577 -0.397 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.575 0.086 -1.551 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.780 1.166 -1.948 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.096 3.338 -2.661 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.824 2.597 -1.479 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.245 -0.513 -0.599 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.825 -1.032 -1.359 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.637 -0.369 -0.837 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -4.072 -0.438 -2.160 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -5.422 -0.248 -2.346 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -6.293 -0.005 -1.348 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -5.793 0.044 -0.102 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -4.494 -0.134 0.174 0.00 0.00 -0.195 NA BRANCH 32 34 ATOM 34 N LIG 1 -6.673 0.282 0.959 0.00 0.00 -0.299 N ATOM 35 C LIG 1 -7.867 1.065 0.869 0.00 0.00 +0.109 C ATOM 36 C LIG 1 -7.771 1.217 2.393 0.00 0.00 +0.038 C ATOM 37 C LIG 1 -6.288 0.872 2.206 0.00 0.00 +0.109 C ENDBRANCH 32 34 BRANCH 29 38 ATOM 38 O LIG 1 -3.138 -0.702 -3.126 0.00 0.00 -0.490 OA ATOM 39 C LIG 1 -3.596 -0.682 -4.474 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6