REMARK Name = BDB006145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.513 0.682 0.502 0.00 0.00 -0.265 N ATOM 2 C LIG 1 1.665 -0.194 -0.168 0.00 0.00 +0.048 A ATOM 3 C LIG 1 0.433 0.423 -0.100 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.002 0.283 -0.480 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -1.568 1.563 0.049 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -0.601 2.359 0.718 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -0.747 3.432 1.284 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.632 1.619 0.576 0.00 0.00 +0.153 A ATOM 9 N LIG 1 1.890 1.805 0.954 0.00 0.00 -0.166 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.969 1.825 0.098 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.848 1.548 -0.971 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.398 1.132 -2.343 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.235 1.731 -0.792 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -5.750 2.228 0.403 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.880 2.556 1.431 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -5.505 3.179 2.909 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.507 2.364 1.283 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.497 -0.982 0.214 0.00 0.00 -0.019 A ATOM 19 C LIG 1 -1.762 -2.180 -0.494 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -1.624 -2.324 -1.988 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -2.233 -3.311 0.206 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -2.414 -3.278 1.586 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.979 -4.678 2.409 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.139 -2.120 2.296 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.687 -0.987 1.618 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 2 26 ATOM 26 C LIG 1 2.032 -1.516 -0.783 0.00 0.00 +0.032 C ATOM 27 C LIG 1 2.299 -2.589 0.271 0.00 0.00 +0.014 C ATOM 28 C LIG 1 3.154 -1.423 -1.814 0.00 0.00 +0.014 C ENDBRANCH 2 26 BRANCH 1 29 ATOM 29 C LIG 1 3.930 0.566 0.787 0.00 0.00 +0.172 C BRANCH 29 30 ATOM 30 C LIG 1 4.765 1.469 -0.113 0.00 0.00 +0.182 C BRANCH 30 32 ATOM 31 C LIG 1 6.742 1.837 1.155 0.00 0.00 +0.194 C ATOM 32 O LIG 1 6.163 1.194 0.025 0.00 0.00 -0.381 OA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6