REMARK Name = BDB001066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.187 0.084 -0.151 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.261 0.621 -1.434 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.269 0.302 -2.260 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.711 1.510 -1.881 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.782 1.845 -1.049 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.899 1.278 0.230 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.897 0.403 0.677 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 5.415 -0.068 0.373 0.00 0.00 -0.300 NA ATOM 9 C LIG 1 4.472 0.880 -0.261 0.00 0.00 +0.103 C ATOM 10 C LIG 1 3.054 0.781 0.330 0.00 0.00 +0.123 C ATOM 11 N LIG 1 2.534 -0.590 0.288 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.176 -0.897 0.330 0.00 0.00 +0.249 C ATOM 13 O LIG 1 0.734 -1.960 0.764 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.462 -1.592 0.810 0.00 0.00 +0.123 C ATOM 15 C LIG 1 4.882 -1.442 0.230 0.00 0.00 +0.103 C BRANCH 8 17 ATOM 16 C LIG 1 7.829 -0.690 0.528 0.00 0.00 +0.020 C ATOM 17 C LIG 1 6.749 0.072 -0.232 0.00 0.00 +0.081 C ENDBRANCH 8 17 ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -3.066 1.622 1.130 0.00 0.00 +0.093 C BRANCH 18 19 ATOM 19 C LIG 1 -4.421 1.454 0.455 0.00 0.00 +0.074 A ATOM 20 C LIG 1 -5.003 0.098 0.275 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -6.239 0.017 -0.363 0.00 0.00 +0.050 A ATOM 22 C LIG 1 -6.855 -1.222 -0.576 0.00 0.00 +0.014 A ATOM 23 C LIG 1 -6.228 -2.390 -0.146 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -4.991 -2.317 0.493 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -6.897 1.254 -0.815 0.00 0.00 +0.272 A ATOM 26 O LIG 1 -7.985 1.232 -1.379 0.00 0.00 -0.266 OA ATOM 27 N LIG 1 -6.222 2.423 -0.567 0.00 0.00 -0.242 N ATOM 28 H LIG 1 -6.663 3.286 -0.870 0.00 0.00 +0.192 HD ATOM 29 C LIG 1 -4.378 -1.078 0.707 0.00 0.00 +0.010 A ATOM 30 N LIG 1 -5.015 2.538 0.048 0.00 0.00 -0.175 NA ENDBRANCH 18 19 ENDBRANCH 6 18 TORSDOF 4