REMARK Name = BDB051116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.980 -1.954 -0.390 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.446 -3.062 0.314 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.606 -3.857 0.993 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.799 -3.385 0.303 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.696 -2.603 -0.426 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.246 -1.491 -1.156 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.877 -1.185 -1.146 0.00 0.00 +0.020 A ENDROOT BRANCH 1 15 ATOM 8 O LIG 1 7.253 -0.065 -0.191 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 6.190 0.418 -0.566 0.00 0.00 +0.219 C ATOM 10 N LIG 1 4.949 -0.086 -0.196 0.00 0.00 -0.301 N ATOM 11 C LIG 1 4.921 -1.298 0.621 0.00 0.00 +0.110 C ATOM 12 C LIG 1 3.568 -1.996 0.564 0.00 0.00 +0.045 C ATOM 13 C LIG 1 2.483 -1.028 1.036 0.00 0.00 +0.042 C ATOM 14 N LIG 1 1.139 -1.575 0.777 0.00 0.00 -0.291 N ATOM 15 C LIG 1 0.451 -1.592 -0.416 0.00 0.00 +0.250 C ATOM 16 O LIG 1 0.957 -1.274 -1.490 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 0.653 -1.337 2.129 0.00 0.00 +0.111 C ATOM 18 C LIG 1 2.114 -1.143 2.538 0.00 0.00 +0.045 C ATOM 19 C LIG 1 2.654 0.416 0.544 0.00 0.00 +0.045 C ATOM 20 C LIG 1 3.661 0.483 -0.601 0.00 0.00 +0.110 C BRANCH 9 21 ATOM 21 C LIG 1 6.202 1.603 -1.470 0.00 0.00 +0.075 C ATOM 22 C LIG 1 7.396 2.534 -1.492 0.00 0.00 +0.013 C ATOM 23 C LIG 1 6.105 2.997 -0.890 0.00 0.00 +0.013 C ENDBRANCH 9 21 ENDBRANCH 1 15 BRANCH 6 24 ATOM 24 C LIG 1 -4.214 -0.666 -1.975 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -5.365 -0.104 -1.149 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -5.167 1.119 -0.328 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -6.253 1.560 0.426 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -6.150 2.702 1.230 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -4.950 3.409 1.278 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.860 2.976 0.525 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.521 0.814 0.366 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -8.501 1.165 1.014 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -7.535 -0.287 -0.453 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -8.403 -0.812 -0.509 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -3.965 1.835 -0.278 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -6.493 -0.751 -1.192 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4