REMARK Name = BDB003361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.060 1.799 -2.596 0.00 0.00 +0.048 C ATOM 2 C LIG 1 -1.473 1.102 -1.330 0.00 0.00 +0.004 C ATOM 3 C LIG 1 -2.922 0.742 -1.288 0.00 0.00 +0.190 C ATOM 4 O LIG 1 -3.694 1.111 -2.166 0.00 0.00 -0.287 OA ATOM 5 C LIG 1 -3.413 -0.066 -0.160 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -2.564 -0.407 0.885 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -3.045 -1.172 1.957 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -4.376 -1.592 1.976 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -5.229 -1.250 0.928 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.162 0.040 0.880 0.00 0.00 +0.191 C ATOM 11 O LIG 1 -0.435 -0.188 1.842 0.00 0.00 -0.287 OA ATOM 12 C LIG 1 -4.751 -0.487 -0.139 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -0.651 0.780 -0.311 0.00 0.00 +0.014 C ENDROOT BRANCH 13 14 ATOM 14 C LIG 1 0.824 1.102 -0.236 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 C LIG 1 1.646 -0.126 -0.608 0.00 0.00 +0.168 C ATOM 16 O LIG 1 1.200 -1.021 -1.327 0.00 0.00 -0.292 OA BRANCH 15 17 ATOM 17 C LIG 1 3.055 -0.223 -0.121 0.00 0.00 +0.018 A ATOM 18 C LIG 1 3.747 0.878 0.399 0.00 0.00 +0.011 A ATOM 19 C LIG 1 5.067 0.735 0.834 0.00 0.00 +0.001 A ATOM 20 C LIG 1 5.704 -0.503 0.748 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.024 -1.601 0.225 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.705 -1.462 -0.210 0.00 0.00 +0.011 A ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 TORSDOF 3