REMARK Name = BDB024199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.707 -1.840 -1.380 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.595 -3.106 -0.540 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.153 -3.081 0.794 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.060 -4.261 1.536 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.417 -5.478 0.960 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.876 -5.517 -0.355 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.969 -4.340 -1.099 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.691 -1.360 -1.114 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.759 -2.364 -1.206 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.575 -0.794 -1.161 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.829 0.408 -1.121 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.313 0.621 -0.493 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.087 1.276 -0.532 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -1.893 0.664 -0.730 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.888 -0.665 -0.909 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -3.062 -1.411 -0.888 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -4.282 -0.761 -0.679 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 -7.670 4.017 0.880 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -7.035 2.838 0.343 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -7.788 1.879 -0.220 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -6.895 0.961 -0.597 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -5.564 1.323 -0.277 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -5.699 2.553 0.337 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 3.050 -1.206 -1.400 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.921 -0.240 -1.716 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.824 -1.197 -0.155 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.448 -0.125 0.885 0.00 0.00 +0.051 C BRANCH 27 28 ATOM 28 C LIG 1 4.066 1.233 0.617 0.00 0.00 -0.028 A ATOM 29 C LIG 1 5.416 1.519 0.890 0.00 0.00 +0.045 A ATOM 30 CL LIG 1 6.476 0.348 1.593 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 5.952 2.782 0.614 0.00 0.00 +0.039 A ATOM 32 C LIG 1 5.146 3.782 0.065 0.00 0.00 +0.053 A ATOM 33 C LIG 1 3.803 3.516 -0.202 0.00 0.00 +0.019 A ATOM 34 C LIG 1 3.269 2.254 0.074 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 5.695 5.075 -0.217 0.00 0.00 +0.099 C ATOM 36 N LIG 1 6.142 6.122 -0.442 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9