REMARK Name = BDB026083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.203 -0.962 -0.472 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.605 0.268 -0.097 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.213 0.412 -0.096 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.619 -0.665 -0.443 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.018 -1.871 -0.814 0.00 0.00 +0.135 A ATOM 6 F LIG 1 0.761 -2.919 -1.203 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.369 -2.024 -0.829 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.295 -2.838 -3.145 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.109 -1.730 -2.463 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.108 -2.366 -1.565 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.446 -1.823 -1.813 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.746 -2.264 -0.126 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.355 -3.441 0.644 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.213 -2.244 0.119 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.612 -1.051 -0.506 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.193 -0.656 -1.814 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.073 -0.475 -0.431 0.00 0.00 +0.112 A ATOM 18 S LIG 1 3.125 -1.662 0.239 0.00 0.00 -0.063 S ATOM 19 C LIG 1 4.481 -0.657 -0.079 0.00 0.00 +0.094 A ATOM 20 C LIG 1 4.041 0.507 -0.676 0.00 0.00 +0.132 A ATOM 21 N LIG 1 2.676 0.619 -0.853 0.00 0.00 -0.246 NA BRANCH 19 22 ATOM 22 C LIG 1 5.816 -1.103 0.272 0.00 0.00 +0.252 C ATOM 23 N LIG 1 6.793 -0.120 0.227 0.00 0.00 -0.308 N ATOM 24 H LIG 1 6.500 0.845 0.178 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 6.089 -2.254 0.603 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 8.155 -0.380 0.674 0.00 0.00 +0.073 C ATOM 27 C LIG 1 8.264 -0.289 2.199 0.00 0.00 +0.022 C ATOM 28 C LIG 1 9.665 -0.655 2.694 0.00 0.00 +0.002 C ATOM 29 C LIG 1 10.770 -0.362 1.677 0.00 0.00 +0.000 C ATOM 30 C LIG 1 10.421 0.824 0.790 0.00 0.00 +0.002 C ATOM 31 C LIG 1 9.136 0.587 -0.009 0.00 0.00 +0.022 C ENDBRANCH 23 26 ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -2.499 1.290 0.287 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.468 0.984 0.242 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.208 2.550 0.743 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -1.109 3.053 0.928 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.438 3.324 1.067 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -4.274 3.962 0.058 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -5.370 4.642 0.448 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -5.726 4.743 1.886 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -6.728 5.344 2.249 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -4.867 4.122 2.758 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -5.100 4.206 3.742 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -3.746 3.432 2.369 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -3.869 3.859 -1.380 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -4.674 4.594 -2.193 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.605 4.286 -1.601 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -3.951 2.580 -1.829 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7