REMARK Name = BDB025977 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.990 -0.070 -0.322 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.371 0.316 -1.512 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.111 0.583 -2.600 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.012 0.486 -1.610 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.861 0.268 -0.514 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.258 -0.244 0.661 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.146 -0.340 0.766 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.216 0.645 -0.554 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.590 1.686 0.450 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.270 2.923 -0.208 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.477 4.027 0.836 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.474 2.595 -1.017 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.747 2.678 -0.304 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.347 1.270 -1.669 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.889 0.800 -1.865 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.191 -0.492 0.009 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.572 -0.985 -1.074 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.231 -0.834 -1.162 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.446 -0.213 -0.212 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.180 0.258 0.857 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.519 0.131 0.991 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 9.469 0.672 2.209 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.743 -0.105 1.120 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.324 0.274 -0.142 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.423 0.136 -1.254 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.349 -0.946 -1.060 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.556 -0.655 0.139 0.00 0.00 -0.295 N ATOM 28 C LIG 1 7.220 0.140 1.177 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -1.964 -0.685 1.799 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.492 -0.611 2.692 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -3.157 -1.335 1.930 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -3.662 -1.427 3.052 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.812 -2.015 0.777 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.203 -3.070 -0.033 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.918 -3.625 -1.033 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.314 -3.204 -1.296 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.953 -3.666 -2.232 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.834 -2.295 -0.412 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -6.803 -2.038 -0.558 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -5.110 -1.716 0.600 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -1.849 -3.609 0.309 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.721 -4.913 -0.061 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.568 -3.571 1.636 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.857 -2.944 -0.332 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6