REMARK Name = BDB006126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.893 0.228 1.116 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -1.839 -1.057 1.878 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -0.526 -1.317 2.365 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.168 -2.196 3.134 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.299 -0.282 1.782 0.00 0.00 +0.153 A ATOM 6 N LIG 1 1.590 0.020 1.815 0.00 0.00 -0.165 NA ATOM 7 N LIG 1 1.653 1.160 1.070 0.00 0.00 -0.258 N ATOM 8 C LIG 1 0.406 1.615 0.648 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -0.465 0.630 1.062 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -0.746 -1.602 -1.190 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -1.933 -0.687 -1.341 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -2.434 0.137 -0.300 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -3.561 0.949 -0.582 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -4.159 0.970 -1.843 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.645 0.174 -2.855 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -4.370 0.198 -4.415 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.546 -0.644 -2.612 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -2.961 -1.392 2.688 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -4.094 -2.030 2.148 0.00 0.00 -0.029 A ATOM 20 C LIG 1 -4.172 -2.519 0.730 0.00 0.00 +0.045 C ATOM 21 C LIG 1 -5.210 -2.254 2.977 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -5.190 -1.891 4.323 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -4.051 -1.303 4.857 0.00 0.00 +0.043 A ATOM 24 CL LIG 1 -4.020 -0.856 6.518 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 -2.941 -1.054 4.052 0.00 0.00 +0.043 A ENDBRANCH 2 18 BRANCH 8 26 ATOM 26 C LIG 1 0.196 2.917 -0.078 0.00 0.00 +0.032 C ATOM 27 C LIG 1 -0.043 2.696 -1.571 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -0.941 3.731 0.541 0.00 0.00 +0.014 C ENDBRANCH 8 26 BRANCH 7 29 ATOM 29 C LIG 1 2.955 1.784 0.904 0.00 0.00 +0.239 C BRANCH 29 30 ATOM 30 C LIG 1 3.428 1.779 -0.535 0.00 0.00 +0.237 C ATOM 31 N LIG 1 4.011 0.625 -1.054 0.00 0.00 -0.300 N ATOM 32 C LIG 1 4.024 -0.665 -0.356 0.00 0.00 +0.110 C ATOM 33 C LIG 1 4.759 -1.756 -1.127 0.00 0.00 +0.050 C ATOM 34 C LIG 1 6.064 -1.216 -1.698 0.00 0.00 +0.118 C ATOM 35 C LIG 1 5.853 0.015 -2.584 0.00 0.00 +0.050 C ATOM 36 C LIG 1 4.458 0.621 -2.443 0.00 0.00 +0.110 C ATOM 37 O LIG 1 3.322 2.808 -1.210 0.00 0.00 -0.274 OA BRANCH 34 38 ATOM 38 O LIG 1 6.731 -2.239 -2.432 0.00 0.00 -0.392 OA ATOM 39 H LIG 1 6.158 -2.511 -3.169 0.00 0.00 +0.210 HD ENDBRANCH 34 38 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 6