REMARK Name = BDB026105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.193 -1.024 0.331 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.752 0.288 0.036 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.611 0.602 0.056 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.579 -0.374 0.364 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.117 -1.667 0.655 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.990 -2.645 0.945 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.239 -1.994 0.643 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.656 -4.123 -2.102 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.873 -3.554 -0.907 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.221 -4.128 0.418 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -3.828 -5.450 0.410 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.962 -3.176 1.253 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.144 -1.891 1.510 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.584 -1.296 0.272 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.970 -1.994 -0.978 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.015 -0.038 0.380 0.00 0.00 +0.003 A ATOM 17 C LIG 1 3.874 -0.480 1.390 0.00 0.00 +0.123 A ATOM 18 N LIG 1 5.199 -0.201 1.469 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 5.712 0.564 0.485 0.00 0.00 +0.215 A ATOM 20 C LIG 1 4.963 1.060 -0.566 0.00 0.00 +0.068 A ATOM 21 C LIG 1 3.603 0.755 -0.616 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 O LIG 1 7.052 0.895 0.490 0.00 0.00 -0.476 OA BRANCH 22 23 ATOM 23 C LIG 1 7.762 0.334 1.594 0.00 0.00 +0.234 C BRANCH 23 24 ATOM 24 C LIG 1 9.192 0.779 1.493 0.00 0.00 +0.027 C ATOM 25 C LIG 1 10.297 -0.047 2.099 0.00 0.00 +0.007 C ATOM 26 C LIG 1 10.162 0.044 0.604 0.00 0.00 +0.007 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 27 ATOM 27 N LIG 1 -1.775 1.219 -0.245 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -2.698 0.798 -0.148 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.650 2.533 -0.616 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -0.616 3.147 -0.846 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.969 3.204 -0.808 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -3.937 3.425 0.256 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -5.090 4.056 -0.034 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -5.394 4.525 -1.412 0.00 0.00 +0.252 A ATOM 35 O LIG 1 -6.471 5.072 -1.627 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.403 4.296 -2.361 0.00 0.00 -0.318 N ATOM 37 C LIG 1 -4.606 4.753 -3.727 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -3.216 3.652 -2.049 0.00 0.00 +0.102 A BRANCH 32 39 ATOM 39 C LIG 1 -3.609 2.982 1.649 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -2.382 3.387 2.052 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.650 1.630 1.756 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.495 3.461 2.562 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 8