REMARK Name = BDB042169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.187 -0.850 2.333 0.00 0.00 +0.122 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.207 0.871 0.124 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.103 1.151 1.481 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.930 1.664 2.209 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.771 0.710 1.905 0.00 0.00 +0.044 A ATOM 6 C LIG 1 3.171 0.805 3.146 0.00 0.00 +0.014 A ATOM 7 C LIG 1 1.876 0.294 3.275 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.212 -0.298 2.173 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.867 -0.370 0.935 0.00 0.00 +0.133 A ATOM 10 F LIG 1 1.262 -0.918 -0.128 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.142 0.135 0.807 0.00 0.00 +0.017 A ATOM 12 C LIG 1 4.033 0.168 -0.381 0.00 0.00 +0.147 C BRANCH 2 19 ATOM 13 O LIG 1 7.008 -0.761 -4.332 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 6.922 -0.165 -3.262 0.00 0.00 +0.219 C ATOM 15 N LIG 1 7.550 -0.635 -2.142 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.957 -1.552 -2.281 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.060 -0.432 -0.877 0.00 0.00 +0.240 C ATOM 18 O LIG 1 7.069 -1.347 -0.056 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.477 0.964 -0.594 0.00 0.00 +0.163 C ATOM 20 C LIG 1 6.398 1.834 -1.849 0.00 0.00 +0.041 C ATOM 21 C LIG 1 6.023 1.035 -3.084 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -1.152 0.196 2.665 0.00 0.00 -0.292 NA ATOM 23 C LIG 1 -2.481 -0.311 3.103 0.00 0.00 +0.073 C ATOM 24 C LIG 1 -3.216 -1.144 2.023 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.675 -0.115 1.050 0.00 0.00 -0.286 NA ATOM 26 C LIG 1 -3.026 1.134 1.545 0.00 0.00 +0.073 C ATOM 27 C LIG 1 -3.281 0.981 3.040 0.00 0.00 +0.040 C ATOM 28 C LIG 1 -1.477 1.086 1.521 0.00 0.00 +0.104 C BRANCH 25 29 ATOM 29 C LIG 1 -3.375 -0.481 -0.353 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -3.631 0.663 -1.338 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -4.856 1.352 -1.365 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.074 2.388 -2.275 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.072 2.749 -3.173 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.854 2.074 -3.165 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.634 1.037 -2.256 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -4.118 -1.747 -0.804 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -3.474 -2.670 -1.647 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.135 -3.821 -2.082 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.448 -4.064 -1.686 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.104 -3.156 -0.859 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.447 -2.004 -0.424 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 1 22 TORSDOF 6