REMARK Name = BDB010357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.831 0.025 0.196 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.746 0.895 0.292 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.958 2.266 0.342 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.208 2.957 0.480 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.149 2.046 0.503 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -2.165 2.845 0.273 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.145 1.953 0.139 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.628 0.779 0.326 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -3.044 0.602 0.097 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.490 2.255 0.640 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.887 2.677 2.026 0.00 0.00 +0.099 C ATOM 12 C LIG 1 3.010 1.448 2.928 0.00 0.00 +0.030 C ATOM 13 C LIG 1 4.233 3.436 1.996 0.00 0.00 +0.182 C ATOM 14 O LIG 1 4.188 4.650 1.232 0.00 0.00 -0.376 OA ATOM 15 C LIG 1 3.227 4.603 0.167 0.00 0.00 +0.179 C ATOM 16 C LIG 1 3.035 3.187 -0.392 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 7 17 ATOM 17 C LIG 1 -4.527 2.475 0.037 0.00 0.00 +0.220 A ATOM 18 N LIG 1 -5.542 1.606 -0.097 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -5.478 0.603 -0.142 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 -6.668 2.326 -0.165 0.00 0.00 +0.440 A ATOM 21 O LIG 1 -7.797 1.880 -0.288 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 -6.338 3.656 -0.071 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 -4.912 3.710 0.061 0.00 0.00 -0.051 NA ENDBRANCH 7 17 BRANCH 1 24 ATOM 24 N LIG 1 -1.700 -1.352 0.198 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -0.920 -1.667 0.760 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 -3.692 -2.218 -1.000 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -2.844 -2.267 0.268 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 -3.701 -2.080 1.520 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -2.990 -2.292 2.886 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.303 -2.922 3.391 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.613 -3.273 1.922 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 8 32 ATOM 32 C LIG 1 1.412 -0.434 0.187 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 1.396 -1.058 -1.224 0.00 0.00 +0.009 C ATOM 34 C LIG 1 1.981 -2.484 -1.150 0.00 0.00 +0.005 C ATOM 35 C LIG 1 2.580 -2.922 -2.480 0.00 0.00 +0.003 C ATOM 36 C LIG 1 3.771 -2.031 -2.875 0.00 0.00 -0.014 C ATOM 37 C LIG 1 4.014 -2.118 -4.383 0.00 0.00 +0.007 C ATOM 38 C LIG 1 3.593 -0.571 -2.417 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.123 -0.192 -2.274 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 7