REMARK Name = BDB028032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.171 -0.851 -1.414 0.00 0.00 +0.207 C ATOM 2 C LIG 1 0.294 -0.248 -0.069 0.00 0.00 +0.249 C ATOM 3 O LIG 1 -0.472 0.071 0.830 0.00 0.00 -0.272 OA ATOM 4 N LIG 1 1.700 -0.187 -0.094 0.00 0.00 -0.269 N ATOM 5 C LIG 1 2.205 -0.673 -1.356 0.00 0.00 +0.117 C ATOM 6 C LIG 1 1.032 -0.555 -2.302 0.00 0.00 +0.060 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.553 0.190 0.981 0.00 0.00 +0.036 A ATOM 8 C LIG 1 3.946 0.031 0.878 0.00 0.00 +0.023 A ATOM 9 C LIG 1 4.801 0.397 1.925 0.00 0.00 +0.002 A ATOM 10 C LIG 1 4.279 0.932 3.097 0.00 0.00 +0.000 A ATOM 11 C LIG 1 2.905 1.098 3.220 0.00 0.00 +0.002 A ATOM 12 C LIG 1 2.052 0.730 2.172 0.00 0.00 +0.023 A ENDBRANCH 4 7 BRANCH 1 13 ATOM 13 O LIG 1 -1.324 -0.385 -2.083 0.00 0.00 -0.355 OA BRANCH 13 20 ATOM 14 O LIG 1 -5.228 0.289 1.733 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -4.428 0.101 0.820 0.00 0.00 +0.219 C ATOM 16 N LIG 1 -3.664 -1.036 0.773 0.00 0.00 -0.254 N ATOM 17 H LIG 1 -3.785 -1.682 1.540 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -2.784 -1.427 -0.207 0.00 0.00 +0.248 C ATOM 19 O LIG 1 -2.264 -2.541 -0.163 0.00 0.00 -0.273 OA ATOM 20 C LIG 1 -2.554 -0.432 -1.373 0.00 0.00 +0.205 C ATOM 21 C LIG 1 -2.921 0.997 -0.965 0.00 0.00 +0.050 C ATOM 22 C LIG 1 -4.307 1.044 -0.350 0.00 0.00 +0.099 C ENDBRANCH 13 20 ENDBRANCH 1 13 TORSDOF 3