REMARK Name = BDB025906 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.427 -1.574 -0.987 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.016 -0.402 -0.306 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.332 -0.198 0.011 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.311 -1.153 -0.327 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.875 -2.315 -0.987 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.754 -3.271 -1.326 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.464 -2.527 -1.318 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.513 -4.356 -0.917 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.938 -2.985 -1.287 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.205 -2.645 -2.714 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.635 -2.516 -3.002 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.519 -1.380 -3.071 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.006 -1.414 -2.773 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.800 -1.697 -1.332 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.409 -2.996 -0.965 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.733 -0.922 -0.013 0.00 0.00 +0.003 A ATOM 17 C LIG 1 3.156 -0.408 1.210 0.00 0.00 +0.121 A ATOM 18 N LIG 1 4.446 -0.155 1.551 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 5.418 -0.405 0.649 0.00 0.00 +0.121 A ATOM 20 C LIG 1 5.089 -0.946 -0.593 0.00 0.00 +0.044 A ATOM 21 C LIG 1 3.753 -1.195 -0.925 0.00 0.00 +0.013 A BRANCH 19 22 ATOM 22 N LIG 1 6.740 -0.155 0.997 0.00 0.00 -0.313 N ATOM 23 C LIG 1 6.970 0.301 2.377 0.00 0.00 +0.122 C ATOM 24 C LIG 1 8.486 0.419 2.657 0.00 0.00 +0.103 C ATOM 25 N LIG 1 9.236 1.312 1.742 0.00 0.00 -0.302 NA ATOM 26 C LIG 1 9.606 2.565 2.394 0.00 0.00 +0.105 C ATOM 27 C LIG 1 8.472 1.578 0.505 0.00 0.00 +0.103 C ATOM 28 C LIG 1 7.672 0.362 -0.019 0.00 0.00 +0.122 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -2.050 0.505 0.008 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.954 0.170 -0.323 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.972 1.673 0.721 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.987 2.157 1.262 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.296 2.344 0.851 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.988 2.980 -0.256 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.189 3.546 -0.036 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.820 3.526 1.310 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -6.937 4.012 1.448 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.066 2.938 2.325 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -5.609 2.888 3.674 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.833 2.355 2.082 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -3.334 3.011 -1.600 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.052 3.439 -1.554 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.982 3.828 -2.471 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.332 1.779 -2.171 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6