REMARK Name = BDB051874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.135 -0.033 0.180 0.00 0.00 +0.140 A ATOM 2 O LIG 1 -0.335 0.135 -0.925 0.00 0.00 -0.455 OA ATOM 3 C LIG 1 1.027 0.120 -0.748 0.00 0.00 +0.140 A ATOM 4 C LIG 1 1.773 0.296 -1.909 0.00 0.00 +0.047 A ATOM 5 C LIG 1 3.161 0.298 -1.845 0.00 0.00 +0.012 A ATOM 6 C LIG 1 3.825 0.126 -0.624 0.00 0.00 -0.017 A ATOM 7 C LIG 1 3.087 -0.055 0.578 0.00 0.00 -0.004 A ATOM 8 C LIG 1 3.848 -0.222 1.765 0.00 0.00 +0.009 A ATOM 9 C LIG 1 5.246 -0.210 1.766 0.00 0.00 +0.001 A ATOM 10 C LIG 1 5.938 -0.032 0.580 0.00 0.00 +0.001 A ATOM 11 C LIG 1 5.231 0.135 -0.607 0.00 0.00 +0.008 A ATOM 12 C LIG 1 1.659 -0.055 0.492 0.00 0.00 +0.072 A ATOM 13 C LIG 1 0.764 -0.234 1.670 0.00 0.00 +0.194 A ATOM 14 O LIG 1 1.153 -0.398 2.819 0.00 0.00 -0.287 OA ATOM 15 C LIG 1 -0.687 -0.210 1.426 0.00 0.00 +0.098 A ENDROOT BRANCH 1 18 ATOM 16 C LIG 1 -2.556 -2.528 -0.481 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -3.266 -1.200 -0.417 0.00 0.00 -0.040 A ATOM 18 C LIG 1 -2.580 -0.003 -0.106 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -3.286 1.222 -0.064 0.00 0.00 -0.040 A ATOM 20 C LIG 1 -2.598 2.524 0.255 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -4.666 1.229 -0.315 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -5.341 0.048 -0.612 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -4.646 -1.158 -0.663 0.00 0.00 +0.004 A ENDBRANCH 1 18 TORSDOF 1