REMARK Name = BDB005860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.469 -1.316 -0.578 0.00 0.00 +0.153 A ATOM 2 N LIG 1 -0.558 -0.302 -0.864 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.207 0.915 -0.704 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.439 0.561 -0.161 0.00 0.00 +0.094 A ATOM 5 C LIG 1 -3.361 1.528 0.237 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -2.972 2.840 0.053 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -1.793 3.199 -0.505 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -0.898 2.264 -0.920 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -2.588 -0.792 -0.108 0.00 0.00 -0.228 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.846 3.970 0.455 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -5.122 3.777 0.829 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -5.675 2.940 0.870 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.631 4.987 1.108 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.777 5.207 1.464 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.653 5.927 0.922 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.493 5.214 0.486 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 0.281 2.790 -1.585 0.00 0.00 +0.022 A ATOM 18 C LIG 1 1.201 3.603 -0.909 0.00 0.00 +0.033 A ATOM 19 C LIG 1 2.315 4.097 -1.580 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 3.469 5.066 -0.760 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 2.479 3.774 -2.917 0.00 0.00 +0.130 A ATOM 22 N LIG 1 1.608 3.008 -3.617 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 0.522 2.559 -2.941 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -1.886 -3.233 -2.121 0.00 0.00 +0.061 C ATOM 25 C LIG 1 -1.243 -2.813 -0.793 0.00 0.00 +0.193 C ATOM 26 F LIG 1 0.098 -3.064 -0.974 0.00 0.00 -0.229 F BRANCH 25 27 ATOM 27 C LIG 1 -1.745 -3.624 0.399 0.00 0.00 +0.032 A ATOM 28 C LIG 1 -3.103 -3.901 0.610 0.00 0.00 +0.133 A ATOM 29 F LIG 1 -4.029 -3.476 -0.260 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -3.540 -4.624 1.716 0.00 0.00 +0.077 A ATOM 31 C LIG 1 -2.609 -5.080 2.636 0.00 0.00 +0.126 A ATOM 32 F LIG 1 -3.020 -5.776 3.703 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -1.254 -4.824 2.466 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -0.823 -4.098 1.354 0.00 0.00 +0.013 A ENDBRANCH 25 27 ENDBRANCH 1 25 BRANCH 2 35 ATOM 35 C LIG 1 0.839 -0.509 -1.218 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 1.739 -0.903 -0.026 0.00 0.00 +0.009 C ATOM 37 C LIG 1 2.032 0.275 0.927 0.00 0.00 +0.005 C ATOM 38 C LIG 1 3.362 0.955 0.616 0.00 0.00 +0.003 C ATOM 39 C LIG 1 4.553 -0.010 0.754 0.00 0.00 -0.014 C ATOM 40 C LIG 1 5.205 0.098 2.134 0.00 0.00 +0.007 C ATOM 41 C LIG 1 4.162 -1.470 0.464 0.00 0.00 +0.003 C ATOM 42 C LIG 1 3.036 -1.547 -0.559 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 6