REMARK Name = BDB034187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.209 0.649 -2.279 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.082 0.391 -1.911 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -1.579 0.366 -0.603 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -2.926 0.093 -0.416 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.707 -0.016 0.850 0.00 0.00 +0.144 C ATOM 6 N LIG 1 -5.067 -0.226 0.373 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -5.110 -0.408 -1.002 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -6.055 -0.735 -1.692 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -3.758 -0.148 -1.506 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -3.301 -0.130 -2.807 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -1.946 0.149 -3.001 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 -6.140 -0.605 1.286 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -6.203 -2.129 1.468 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -5.216 -2.861 1.409 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -7.427 -2.643 1.830 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -7.459 -3.642 1.983 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -8.579 -1.955 2.117 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -9.564 -2.531 2.569 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.536 -0.455 1.938 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -7.510 -0.053 0.891 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 2.570 0.273 -1.927 0.00 0.00 +0.097 C ATOM 22 C LIG 1 1.232 0.741 -1.271 0.00 0.00 +0.190 C ATOM 23 C LIG 1 1.336 2.186 -0.757 0.00 0.00 +0.046 C ATOM 24 C LIG 1 1.780 3.160 -1.848 0.00 0.00 +0.004 C ATOM 25 C LIG 1 3.076 2.714 -2.516 0.00 0.00 +0.002 C ATOM 26 C LIG 1 2.977 1.279 -3.030 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 4.957 -1.297 -0.115 0.00 0.00 +0.048 C ATOM 28 C LIG 1 3.429 -1.022 -0.029 0.00 0.00 +0.094 C ATOM 29 N LIG 1 3.648 0.153 -0.919 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 4.836 -0.554 -1.473 0.00 0.00 +0.094 C BRANCH 27 32 ATOM 31 C LIG 1 6.140 -1.470 2.254 0.00 0.00 +0.058 A ATOM 32 C LIG 1 5.879 -0.718 1.077 0.00 0.00 -0.024 A ATOM 33 C LIG 1 6.461 0.570 1.022 0.00 0.00 +0.008 A ATOM 34 C LIG 1 7.261 1.072 2.052 0.00 0.00 +0.039 A ATOM 35 C LIG 1 7.496 0.296 3.174 0.00 0.00 +0.125 A ATOM 36 F LIG 1 8.260 0.775 4.163 0.00 0.00 -0.205 F ATOM 37 C LIG 1 6.943 -0.969 3.288 0.00 0.00 +0.057 A BRANCH 31 39 ATOM 38 N LIG 1 5.088 -3.826 2.540 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 5.564 -2.775 2.416 0.00 0.00 +0.100 C ENDBRANCH 31 39 ENDBRANCH 27 32 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6