REMARK Name = BDB022771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.982 3.655 -0.595 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.759 2.467 -0.613 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.907 1.495 -0.129 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.263 2.123 0.184 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.243 3.446 -0.080 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -3.116 2.291 -1.081 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -3.974 1.527 -0.321 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -4.892 1.526 -0.752 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -3.513 2.776 -2.137 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -3.984 1.519 1.129 0.00 0.00 +0.144 C BRANCH 10 11 ATOM 11 C LIG 1 -4.691 0.300 1.660 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -6.093 0.254 1.595 0.00 0.00 +0.171 A ATOM 13 F LIG 1 -6.743 1.308 1.073 0.00 0.00 -0.201 F ATOM 14 C LIG 1 -6.831 -0.846 2.049 0.00 0.00 +0.156 A ATOM 15 C LIG 1 -6.147 -1.937 2.579 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -4.749 -1.918 2.652 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -4.017 -0.810 2.196 0.00 0.00 +0.059 A BRANCH 14 18 ATOM 18 O LIG 1 -8.188 -0.741 1.923 0.00 0.00 -0.492 OA ATOM 19 C LIG 1 -8.974 -1.839 2.368 0.00 0.00 +0.277 C ENDBRANCH 14 18 BRANCH 17 20 ATOM 20 C LIG 1 -2.586 -0.852 2.309 0.00 0.00 +0.100 C ATOM 21 N LIG 1 -1.431 -0.883 2.419 0.00 0.00 -0.191 NA ENDBRANCH 17 20 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.417 5.025 -1.012 0.00 0.00 +0.217 C BRANCH 22 24 ATOM 23 C LIG 1 -1.664 6.128 1.073 0.00 0.00 +0.194 C ATOM 24 O LIG 1 -2.329 5.627 -0.079 0.00 0.00 -0.377 OA ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 4 25 ATOM 25 C LIG 1 1.431 1.514 0.809 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 C LIG 1 2.132 0.558 -0.123 0.00 0.00 -0.026 A ATOM 27 C LIG 1 2.051 -0.825 0.084 0.00 0.00 +0.006 A ATOM 28 C LIG 1 2.694 -1.709 -0.785 0.00 0.00 +0.005 A ATOM 29 C LIG 1 3.428 -1.228 -1.879 0.00 0.00 -0.030 A ATOM 30 C LIG 1 3.507 0.154 -2.087 0.00 0.00 +0.005 A ATOM 31 C LIG 1 2.864 1.039 -1.218 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 4.130 -2.193 -2.805 0.00 0.00 +0.142 C BRANCH 32 33 ATOM 33 N LIG 1 5.294 -2.799 -2.174 0.00 0.00 -0.297 N ATOM 34 C LIG 1 5.251 -4.107 -1.718 0.00 0.00 +0.216 C ATOM 35 O LIG 1 4.283 -4.851 -1.846 0.00 0.00 -0.276 OA ATOM 36 C LIG 1 6.536 -4.572 -1.065 0.00 0.00 +0.096 C ATOM 37 C LIG 1 7.042 -3.541 -0.061 0.00 0.00 +0.011 C ATOM 38 C LIG 1 7.051 -2.111 -0.609 0.00 0.00 +0.019 C ATOM 39 C LIG 1 6.516 -2.023 -2.033 0.00 0.00 +0.108 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 11