REMARK Name = BDB016027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.160 0.049 0.749 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.187 0.030 0.830 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.829 1.161 1.167 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.114 2.323 1.479 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.261 2.241 1.351 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.921 1.131 0.976 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.837 -2.381 -0.471 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.166 -1.198 -0.119 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.849 -1.206 0.387 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.224 -2.457 0.536 0.00 0.00 +0.011 A ATOM 11 C LIG 1 1.875 -3.642 0.189 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.174 -3.603 -0.315 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 8.537 -1.053 -1.378 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.271 -1.745 -1.379 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.129 -2.864 -2.110 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.866 -3.231 -1.874 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.192 -2.349 -0.996 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.143 -1.395 -0.694 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.732 3.555 1.930 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.431 4.814 1.453 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.239 5.681 2.133 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -1.304 7.114 1.979 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -2.041 5.075 3.025 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.730 3.782 2.905 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.218 1.154 1.275 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -2.590 2.043 0.941 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.115 0.069 0.880 0.00 0.00 +0.091 C ATOM 28 C LIG 1 -3.230 -0.229 -0.642 0.00 0.00 +0.100 C ATOM 29 N LIG 1 -4.606 -0.804 -0.790 0.00 0.00 -0.176 NA ATOM 30 C LIG 1 -4.532 -2.192 -0.258 0.00 0.00 +0.113 C ATOM 31 C LIG 1 -3.071 -2.258 0.252 0.00 0.00 +0.008 C ATOM 32 C LIG 1 -2.373 -1.478 -0.857 0.00 0.00 +0.027 C ATOM 33 C LIG 1 -2.874 -1.328 1.477 0.00 0.00 +0.028 C BRANCH 29 34 ATOM 34 S LIG 1 -5.569 -0.418 -2.091 0.00 0.00 +0.029 S ATOM 35 O LIG 1 -6.827 -1.114 -1.923 0.00 0.00 -0.158 OA ATOM 36 O LIG 1 -5.520 1.019 -2.253 0.00 0.00 -0.158 OA ATOM 37 C LIG 1 -4.721 -1.147 -3.478 0.00 0.00 +0.215 C ENDBRANCH 29 34 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6