REMARK Name = BDB042048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.465 -0.658 2.760 0.00 0.00 +0.120 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.725 0.336 -0.136 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.548 -1.015 0.140 0.00 0.00 +0.251 C ATOM 4 O LIG 1 6.281 -1.936 -0.157 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.273 -1.136 0.850 0.00 0.00 +0.077 A ATOM 6 C LIG 1 3.683 0.125 0.899 0.00 0.00 -0.015 A ATOM 7 C LIG 1 2.453 0.302 1.513 0.00 0.00 +0.011 A ATOM 8 C LIG 1 1.811 -0.817 2.081 0.00 0.00 -0.030 A ATOM 9 C LIG 1 2.431 -2.086 2.022 0.00 0.00 +0.044 A ATOM 10 C LIG 1 3.668 -2.244 1.399 0.00 0.00 +0.136 A ATOM 11 F LIG 1 4.236 -3.455 1.354 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.546 1.120 0.201 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 9.640 0.799 -3.987 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 8.805 0.745 -3.088 0.00 0.00 +0.219 C ATOM 15 N LIG 1 7.484 0.500 -3.364 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.257 0.337 -4.335 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.414 0.561 -2.500 0.00 0.00 +0.240 C ATOM 18 O LIG 1 5.264 0.483 -2.930 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.752 0.860 -1.031 0.00 0.00 +0.163 C ATOM 20 C LIG 1 8.165 0.383 -0.696 0.00 0.00 +0.041 C ATOM 21 C LIG 1 9.155 1.036 -1.647 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.552 -0.072 1.886 0.00 0.00 -0.293 NA ATOM 23 C LIG 1 -0.918 -0.882 0.700 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -1.868 -0.022 -0.196 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.088 0.417 0.540 0.00 0.00 -0.286 NA ATOM 26 C LIG 1 -3.072 -0.206 1.890 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -2.990 -1.744 1.816 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -1.703 -2.150 1.090 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -1.786 0.283 2.631 0.00 0.00 +0.104 C BRANCH 25 30 ATOM 30 C LIG 1 -4.332 0.202 -0.243 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -4.325 0.921 -1.602 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -3.797 2.215 -1.757 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.818 2.852 -2.999 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.373 2.210 -4.103 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.911 0.932 -3.967 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.890 0.293 -2.726 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.605 0.573 0.526 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -5.762 1.835 1.126 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -6.931 2.159 1.816 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.962 1.228 1.915 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -7.827 -0.027 1.323 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -6.658 -0.352 0.632 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 25 30 ENDBRANCH 1 22 TORSDOF 6