REMARK Name = BDB050722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.742 -0.132 -0.767 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -0.374 -0.419 -2.075 0.00 0.00 +0.170 A ATOM 3 F LIG 1 0.700 -1.178 -2.339 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.120 0.105 -3.121 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -0.763 -0.140 -4.389 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -2.243 0.895 -2.874 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.648 1.160 -1.556 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.877 0.647 -0.500 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 -0.574 -1.561 1.025 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.005 -0.706 0.360 0.00 0.00 +0.250 C ATOM 11 N LIG 1 1.284 -0.236 0.644 0.00 0.00 -0.294 N ATOM 12 C LIG 1 2.041 0.701 -0.203 0.00 0.00 +0.127 C ATOM 13 C LIG 1 3.066 1.535 0.591 0.00 0.00 +0.124 C ATOM 14 N LIG 1 3.906 0.693 1.466 0.00 0.00 -0.327 N ATOM 15 C LIG 1 3.079 -0.124 2.391 0.00 0.00 +0.124 C ATOM 16 C LIG 1 2.088 -1.003 1.607 0.00 0.00 +0.127 C BRANCH 14 17 ATOM 17 C LIG 1 5.097 0.133 1.004 0.00 0.00 +0.030 A ATOM 18 C LIG 1 5.490 0.157 -0.344 0.00 0.00 +0.025 A ATOM 19 C LIG 1 6.701 -0.402 -0.777 0.00 0.00 +0.034 A ATOM 20 C LIG 1 7.562 -0.988 0.152 0.00 0.00 +0.126 A ATOM 21 C LIG 1 7.219 -1.010 1.504 0.00 0.00 +0.034 A ATOM 22 C LIG 1 6.003 -0.448 1.913 0.00 0.00 +0.025 A BRANCH 20 23 ATOM 23 N LIG 1 8.833 -1.571 -0.292 0.00 0.00 +0.056 N ATOM 24 O LIG 1 9.106 -1.507 -1.499 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 9.559 -2.095 0.566 0.00 0.00 -0.126 OA ENDBRANCH 20 23 ENDBRANCH 14 17 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 -3.858 2.033 -1.301 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -4.737 1.558 -0.151 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -5.649 0.400 -0.338 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -6.418 0.015 0.758 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -7.300 -1.068 0.667 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -7.412 -1.770 -0.532 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.645 -1.391 -1.633 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.295 0.762 2.021 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -6.960 0.467 3.007 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -5.401 1.804 2.021 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -5.302 2.329 2.885 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -5.765 -0.307 -1.540 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -4.634 2.206 0.973 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 5