REMARK Name = BDB002933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.943 -0.553 0.233 0.00 0.00 +0.106 C ATOM 2 C LIG 1 1.488 0.281 -0.890 0.00 0.00 +0.210 C ATOM 3 O LIG 1 0.792 0.657 -1.827 0.00 0.00 -0.285 OA ATOM 4 C LIG 1 2.914 0.653 -0.867 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.710 0.344 0.228 0.00 0.00 +0.034 A ATOM 6 C LIG 1 5.063 0.714 0.237 0.00 0.00 +0.012 A ATOM 7 C LIG 1 5.613 1.389 -0.853 0.00 0.00 +0.001 A ATOM 8 C LIG 1 4.816 1.699 -1.952 0.00 0.00 +0.001 A ATOM 9 C LIG 1 3.140 -0.355 1.390 0.00 0.00 +0.207 C ATOM 10 O LIG 1 3.827 -0.519 2.392 0.00 0.00 -0.286 OA ATOM 11 C LIG 1 3.469 1.334 -1.961 0.00 0.00 +0.012 A ATOM 12 C LIG 1 1.732 -0.826 1.291 0.00 0.00 +0.113 C ATOM 13 CL LIG 1 1.141 -1.654 2.704 0.00 0.00 -0.077 Cl ENDROOT BRANCH 1 16 ATOM 14 C LIG 1 -1.865 -3.053 0.362 0.00 0.00 +0.109 C ATOM 15 C LIG 1 -0.522 -2.435 0.082 0.00 0.00 +0.217 C ATOM 16 N LIG 1 -0.379 -1.044 0.119 0.00 0.00 -0.264 N ATOM 17 O LIG 1 0.446 -3.179 -0.114 0.00 0.00 -0.276 OA BRANCH 16 18 ATOM 18 C LIG 1 -1.463 -0.040 -0.079 0.00 0.00 +0.082 C ATOM 19 C LIG 1 -2.454 0.030 1.097 0.00 0.00 +0.023 C ATOM 20 C LIG 1 -3.447 1.177 0.909 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -4.173 1.077 -0.431 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -3.196 0.995 -1.602 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -2.198 -0.151 -1.427 0.00 0.00 +0.023 C ENDBRANCH 16 18 ENDBRANCH 1 16 TORSDOF 2