REMARK Name = BDB001570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.033 0.371 0.286 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.494 -0.806 0.760 0.00 0.00 -0.291 N ATOM 3 C LIG 1 0.569 -1.490 0.018 0.00 0.00 +0.132 C ATOM 4 C LIG 1 0.493 -2.945 0.502 0.00 0.00 +0.031 C ATOM 5 C LIG 1 -0.110 -2.834 1.897 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -1.098 -1.688 1.748 0.00 0.00 +0.108 C ATOM 7 O LIG 1 -0.567 0.944 -0.705 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.947 -0.896 0.234 0.00 0.00 +0.100 A ATOM 9 S LIG 1 2.363 0.021 1.627 0.00 0.00 -0.070 S ATOM 10 C LIG 1 3.957 0.250 1.026 0.00 0.00 +0.043 A ATOM 11 C LIG 1 4.087 -0.415 -0.194 0.00 0.00 +0.104 A ATOM 12 C LIG 1 5.334 -0.348 -0.850 0.00 0.00 +0.099 A ATOM 13 N LIG 1 6.364 0.363 -0.313 0.00 0.00 -0.253 NA ATOM 14 C LIG 1 6.189 0.981 0.869 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.013 0.965 1.596 0.00 0.00 +0.037 A ATOM 16 N LIG 1 2.935 -1.074 -0.620 0.00 0.00 -0.240 NA BRANCH 12 17 ATOM 17 C LIG 1 5.555 -1.002 -2.133 0.00 0.00 +0.021 A ATOM 18 C LIG 1 6.147 -2.271 -2.242 0.00 0.00 +0.050 A ATOM 19 CL LIG 1 6.639 -3.174 -0.846 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 6.351 -2.861 -3.495 0.00 0.00 +0.020 A ATOM 21 C LIG 1 5.964 -2.193 -4.657 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.373 -0.936 -4.569 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.173 -0.345 -3.320 0.00 0.00 +0.011 A ENDBRANCH 12 17 ENDBRANCH 3 8 BRANCH 1 24 ATOM 24 C LIG 1 -2.258 0.972 1.018 0.00 0.00 +0.162 C BRANCH 24 25 ATOM 25 C LIG 1 -1.881 2.288 1.740 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -3.145 3.032 2.221 0.00 0.00 +0.034 C ATOM 27 C LIG 1 -2.829 3.929 3.409 0.00 0.00 +0.160 C ATOM 28 O LIG 1 -2.371 3.193 4.542 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 -1.666 1.990 4.244 0.00 0.00 +0.160 C ATOM 30 C LIG 1 -0.917 2.061 2.921 0.00 0.00 +0.034 C ENDBRANCH 24 25 BRANCH 24 32 ATOM 31 C LIG 1 -4.140 0.261 -0.414 0.00 0.00 +0.230 C ATOM 32 N LIG 1 -3.223 1.230 -0.055 0.00 0.00 -0.302 N ATOM 33 H LIG 1 -2.882 1.840 -0.791 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 -4.321 -0.745 0.273 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 -4.982 0.582 -1.680 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -4.133 0.991 -2.884 0.00 0.00 +0.034 C BRANCH 35 38 ATOM 37 C LIG 1 -5.279 -1.691 -2.604 0.00 0.00 +0.101 C ATOM 38 N LIG 1 -5.913 -0.534 -1.980 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 -6.302 -0.842 -1.083 0.00 0.00 +0.122 HD ENDBRANCH 35 38 ENDBRANCH 31 35 ENDBRANCH 24 32 ENDBRANCH 1 24 TORSDOF 7