REMARK Name = BDB064237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.011 -1.591 -0.964 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.472 -2.259 -2.095 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.898 -3.397 -2.509 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.542 -1.751 -2.825 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.177 -0.579 -2.407 0.00 0.00 +0.008 A ATOM 6 C LIG 1 2.758 0.087 -1.243 0.00 0.00 -0.027 A ATOM 7 C LIG 1 1.660 -0.424 -0.533 0.00 0.00 +0.021 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 -3.406 -0.406 -2.757 0.00 0.00 -0.274 OA ATOM 9 C LIG 1 -3.024 -1.118 -1.826 0.00 0.00 +0.233 C ATOM 10 N LIG 1 -3.743 -1.232 -0.635 0.00 0.00 -0.298 N ATOM 11 C LIG 1 -3.246 -2.013 0.506 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.303 -3.136 0.083 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.261 -2.579 -0.763 0.00 0.00 -0.287 N ATOM 14 C LIG 1 -0.100 -2.121 -0.147 0.00 0.00 +0.250 C ATOM 15 O LIG 1 0.053 -2.132 1.075 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -1.779 -2.014 -2.010 0.00 0.00 +0.204 C BRANCH 10 17 ATOM 17 C LIG 1 -4.922 -0.389 -0.435 0.00 0.00 +0.111 C BRANCH 17 18 ATOM 18 C LIG 1 -4.621 1.113 -0.209 0.00 0.00 +0.006 C ATOM 19 C LIG 1 -3.793 1.400 1.049 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -4.535 1.068 2.345 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -6.029 1.386 2.287 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -6.360 2.404 1.206 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -5.936 1.926 -0.186 0.00 0.00 +0.005 C ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 3.450 1.352 -0.772 0.00 0.00 +0.162 C BRANCH 24 25 ATOM 25 N LIG 1 4.896 1.199 -0.593 0.00 0.00 -0.289 N ATOM 26 C LIG 1 5.437 0.548 0.559 0.00 0.00 +0.059 A ATOM 27 C LIG 1 6.824 0.399 0.679 0.00 0.00 +0.063 A ATOM 28 C LIG 1 7.402 -0.239 1.786 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.590 -0.739 2.798 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.210 -0.598 2.701 0.00 0.00 +0.002 A ATOM 31 C LIG 1 7.696 0.926 -0.381 0.00 0.00 +0.262 A ATOM 32 O LIG 1 8.915 0.812 -0.338 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 7.064 1.549 -1.420 0.00 0.00 -0.274 N ATOM 34 H LIG 1 7.651 1.905 -2.159 0.00 0.00 +0.173 HD ATOM 35 C LIG 1 4.638 0.041 1.594 0.00 0.00 +0.027 A ATOM 36 C LIG 1 5.718 1.694 -1.595 0.00 0.00 +0.330 A ATOM 37 O LIG 1 5.305 2.236 -2.620 0.00 0.00 -0.246 OA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5