REMARK Name = BDB007385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.634 -0.263 0.697 0.00 0.00 +0.150 C ATOM 2 C LIG 1 -0.238 0.665 -0.172 0.00 0.00 +0.069 C ATOM 3 C LIG 1 -1.642 0.579 0.468 0.00 0.00 +0.098 C ATOM 4 C LIG 1 -1.971 1.616 1.541 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -3.047 2.395 1.115 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.577 3.422 1.867 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.998 3.658 3.113 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -1.931 2.872 3.578 0.00 0.00 +0.020 A ATOM 9 CL LIG 1 -3.609 4.926 4.105 0.00 0.00 -0.083 Cl ATOM 10 N LIG 1 -3.482 1.966 -0.124 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.245 2.361 -0.655 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -1.414 1.836 2.792 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -2.731 0.898 -0.591 0.00 0.00 +0.230 C ATOM 14 O LIG 1 -2.908 0.358 -1.671 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -1.671 -0.856 1.050 0.00 0.00 +0.075 C ATOM 16 N LIG 1 -0.291 -1.012 1.587 0.00 0.00 -0.301 NA ATOM 17 H LIG 1 -0.010 -2.000 1.604 0.00 0.00 +0.123 HD ENDROOT BRANCH 2 18 ATOM 18 C LIG 1 0.314 2.061 -0.431 0.00 0.00 -0.004 A ATOM 19 C LIG 1 0.125 2.649 -1.694 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -0.511 1.952 -2.647 0.00 0.00 -0.204 F ATOM 21 C LIG 1 0.598 3.931 -1.982 0.00 0.00 +0.076 A ATOM 22 CL LIG 1 0.358 4.626 -3.538 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 1.273 4.657 -1.006 0.00 0.00 +0.023 A ATOM 24 C LIG 1 1.471 4.096 0.255 0.00 0.00 +0.002 A ATOM 25 C LIG 1 0.996 2.811 0.540 0.00 0.00 +0.007 A ENDBRANCH 2 18 BRANCH 1 28 ATOM 26 N LIG 1 2.337 -0.644 -1.044 0.00 0.00 -0.308 N ATOM 27 H LIG 1 2.432 0.365 -1.029 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 1.474 -1.244 -0.150 0.00 0.00 +0.231 C ATOM 29 O LIG 1 1.414 -2.464 -0.009 0.00 0.00 -0.274 OA BRANCH 26 34 ATOM 30 C LIG 1 7.371 -1.574 -0.748 0.00 0.00 +0.109 C ATOM 31 C LIG 1 6.574 -0.761 -1.732 0.00 0.00 +0.213 C ATOM 32 N LIG 1 5.221 -0.955 -1.687 0.00 0.00 -0.298 N ATOM 33 C LIG 1 4.254 -0.616 -2.721 0.00 0.00 +0.131 C ATOM 34 C LIG 1 3.237 -1.450 -1.913 0.00 0.00 +0.107 C ATOM 35 C LIG 1 4.444 -2.076 -1.179 0.00 0.00 +0.131 C ATOM 36 O LIG 1 7.109 0.015 -2.520 0.00 0.00 -0.276 OA ENDBRANCH 26 34 ENDBRANCH 1 28 BRANCH 15 37 ATOM 37 C LIG 1 -2.002 -2.021 0.079 0.00 0.00 +0.026 C BRANCH 37 38 ATOM 38 C LIG 1 -3.360 -2.747 0.323 0.00 0.00 -0.036 C ATOM 39 C LIG 1 -4.560 -1.788 0.291 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -3.550 -3.796 -0.792 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -3.342 -3.485 1.675 0.00 0.00 +0.010 C ENDBRANCH 37 38 ENDBRANCH 15 37 TORSDOF 5