REMARK Name = BDB034290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.585 1.104 1.040 0.00 0.00 -0.294 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.984 0.769 1.371 0.00 0.00 +0.121 C BRANCH 2 8 ATOM 3 CL LIG 1 6.845 4.973 -0.629 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 5.755 3.765 -0.071 0.00 0.00 +0.042 A ATOM 5 C LIG 1 5.907 2.447 -0.493 0.00 0.00 +0.040 A ATOM 6 C LIG 1 5.021 1.463 -0.043 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 5.276 -0.146 -0.620 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 3.973 1.790 0.834 0.00 0.00 -0.015 A ATOM 9 C LIG 1 3.843 3.130 1.249 0.00 0.00 +0.008 A ATOM 10 C LIG 1 4.727 4.112 0.799 0.00 0.00 +0.020 A ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 0.640 0.458 1.974 0.00 0.00 +0.120 C BRANCH 11 12 ATOM 12 C LIG 1 0.535 -1.054 1.925 0.00 0.00 -0.033 A ATOM 13 C LIG 1 -0.425 -1.680 1.116 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -0.525 -3.071 1.067 0.00 0.00 +0.000 A ATOM 15 C LIG 1 0.332 -3.857 1.834 0.00 0.00 +0.000 A ATOM 16 C LIG 1 1.285 -3.252 2.650 0.00 0.00 +0.000 A ATOM 17 C LIG 1 1.385 -1.859 2.698 0.00 0.00 +0.005 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 18 ATOM 18 C LIG 1 1.302 0.849 -0.383 0.00 0.00 +0.085 C BRANCH 18 19 ATOM 19 C LIG 1 -0.021 1.466 -0.857 0.00 0.00 +0.017 C BRANCH 19 20 ATOM 20 C LIG 1 -0.284 1.119 -2.327 0.00 0.00 +0.020 C BRANCH 20 21 ATOM 21 C LIG 1 -1.636 1.621 -2.842 0.00 0.00 +0.101 C BRANCH 21 22 ATOM 22 N LIG 1 -2.772 1.100 -2.077 0.00 0.00 -0.343 N ATOM 23 H LIG 1 -2.829 1.541 -1.166 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.067 -0.275 -2.036 0.00 0.00 +0.038 A ATOM 25 C LIG 1 -3.833 -0.829 -0.966 0.00 0.00 +0.021 A ATOM 26 C LIG 1 -4.087 -2.224 -0.987 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -4.790 -2.811 0.053 0.00 0.00 +0.048 A ATOM 28 C LIG 1 -5.269 -2.058 1.120 0.00 0.00 +0.043 A ATOM 29 C LIG 1 -5.055 -0.689 1.159 0.00 0.00 +0.021 A ATOM 30 CL LIG 1 -6.137 -2.824 2.391 0.00 0.00 -0.083 Cl ATOM 31 N LIG 1 -3.676 -3.026 -1.976 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 -3.024 -2.466 -3.010 0.00 0.00 +0.113 A ATOM 33 C LIG 1 -4.346 -0.079 0.124 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -2.715 -1.122 -3.089 0.00 0.00 +0.043 A ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 10