REMARK Name = BDB008051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.629 -0.818 -1.157 0.00 0.00 +0.195 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.666 0.074 -0.225 0.00 0.00 +0.131 A ATOM 3 C LIG 1 0.709 -0.114 -1.225 0.00 0.00 +0.021 A ATOM 4 C LIG 1 1.231 0.504 -2.419 0.00 0.00 +0.006 A ATOM 5 C LIG 1 2.492 1.010 -2.120 0.00 0.00 +0.049 A ATOM 6 C LIG 1 3.286 1.689 -3.053 0.00 0.00 +0.046 A ATOM 7 C LIG 1 2.764 1.856 -4.338 0.00 0.00 +0.043 A ATOM 8 C LIG 1 1.509 1.364 -4.678 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 3.699 2.687 -5.523 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 0.734 0.684 -3.729 0.00 0.00 +0.012 A ATOM 11 N LIG 1 2.742 0.706 -0.808 0.00 0.00 -0.349 N ATOM 12 H LIG 1 3.587 0.949 -0.308 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C LIG 1 1.636 -0.262 1.182 0.00 0.00 +0.356 C ATOM 14 O LIG 1 0.635 -0.544 1.825 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O LIG 1 2.891 -0.142 1.702 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C LIG 1 2.720 0.811 3.920 0.00 0.00 +0.048 C ATOM 17 C LIG 1 3.012 -0.433 3.102 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -0.663 -2.083 -0.250 0.00 0.00 +0.239 C ATOM 19 N LIG 1 -1.881 -2.308 0.373 0.00 0.00 -0.309 N ATOM 20 H LIG 1 -2.508 -1.513 0.405 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 0.280 -2.871 -0.191 0.00 0.00 -0.273 OA BRANCH 19 22 ATOM 22 C LIG 1 -2.152 -3.401 1.318 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -3.624 -3.291 1.756 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -1.953 -4.774 0.655 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -1.261 -3.281 2.563 0.00 0.00 +0.031 C ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 26 ATOM 26 N LIG 1 -1.748 0.132 -0.967 0.00 0.00 -0.284 N ATOM 27 C LIG 1 -2.853 0.049 -1.793 0.00 0.00 +0.329 C ATOM 28 O LIG 1 -3.879 0.706 -1.679 0.00 0.00 -0.279 OA BRANCH 26 29 ATOM 29 C LIG 1 -1.776 1.065 0.162 0.00 0.00 +0.144 C BRANCH 29 30 ATOM 30 C LIG 1 -1.004 2.342 -0.073 0.00 0.00 -0.025 A ATOM 31 C LIG 1 -0.135 2.830 0.914 0.00 0.00 +0.043 A ATOM 32 C LIG 1 0.596 3.996 0.693 0.00 0.00 +0.126 A ATOM 33 F LIG 1 1.443 4.426 1.637 0.00 0.00 -0.205 F ATOM 34 C LIG 1 0.467 4.712 -0.487 0.00 0.00 +0.076 A ATOM 35 C LIG 1 -0.417 4.250 -1.450 0.00 0.00 +0.126 A ATOM 36 F LIG 1 -0.565 4.937 -2.591 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -1.157 3.086 -1.253 0.00 0.00 +0.043 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 9