REMARK Name = BDB046888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.101 0.055 -0.117 0.00 0.00 -0.220 N ATOM 2 N LIG 1 -4.033 0.695 -1.314 0.00 0.00 -0.173 NA ATOM 3 C LIG 1 -2.778 0.530 -1.726 0.00 0.00 +0.138 A ATOM 4 C LIG 1 -1.992 -0.204 -0.819 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -2.868 -0.496 0.203 0.00 0.00 +0.120 A ENDROOT BRANCH 1 10 ATOM 6 O LIG 1 -9.838 0.840 1.634 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 -8.869 0.948 0.893 0.00 0.00 +0.259 A ATOM 8 C LIG 1 -7.556 0.367 1.232 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -6.499 0.540 0.326 0.00 0.00 +0.122 A ATOM 10 C LIG 1 -5.277 -0.036 0.705 0.00 0.00 +0.180 A ATOM 11 N LIG 1 -5.115 -0.726 1.886 0.00 0.00 -0.234 NA ATOM 12 C LIG 1 -6.172 -0.855 2.710 0.00 0.00 +0.114 A ATOM 13 N LIG 1 -6.703 1.254 -0.873 0.00 0.00 -0.233 NA ATOM 14 C LIG 1 -7.864 1.741 -1.127 0.00 0.00 +0.200 A ATOM 15 C LIG 1 -7.410 -0.329 2.431 0.00 0.00 +0.035 A ATOM 16 N LIG 1 -8.937 1.615 -0.299 0.00 0.00 -0.313 N ATOM 17 H LIG 1 -9.830 2.018 -0.544 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -0.553 -0.577 -0.941 0.00 0.00 +0.053 C BRANCH 18 19 ATOM 19 C LIG 1 0.374 0.494 -0.338 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 1.811 0.233 -0.567 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 2.287 -0.926 0.205 0.00 0.00 +0.085 C ATOM 22 C LIG 1 3.766 -1.209 -0.066 0.00 0.00 +0.023 C ATOM 23 C LIG 1 4.627 0.025 0.236 0.00 0.00 +0.021 C ATOM 24 C LIG 1 4.080 1.240 -0.524 0.00 0.00 +0.023 C ATOM 25 C LIG 1 2.592 1.437 -0.233 0.00 0.00 +0.085 C BRANCH 23 26 ATOM 26 C LIG 1 6.099 -0.217 -0.050 0.00 0.00 -0.044 A ATOM 27 C LIG 1 7.033 -0.144 0.998 0.00 0.00 +0.007 A ATOM 28 C LIG 1 8.390 -0.363 0.756 0.00 0.00 +0.038 A ATOM 29 C LIG 1 8.819 -0.657 -0.531 0.00 0.00 +0.123 A ATOM 30 F LIG 1 10.122 -0.867 -0.762 0.00 0.00 -0.205 F ATOM 31 C LIG 1 7.916 -0.735 -1.583 0.00 0.00 +0.038 A ATOM 32 C LIG 1 6.558 -0.516 -1.344 0.00 0.00 +0.007 A ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 5