REMARK Name = BDB025948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.419 -0.769 -0.004 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.784 0.471 -0.249 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.611 0.575 -0.203 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.414 -0.547 0.077 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.762 -1.767 0.311 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.472 -2.876 0.573 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.627 -1.885 0.274 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.673 -1.369 2.439 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.934 -1.481 1.100 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.096 -2.783 0.391 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.154 -3.943 1.285 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.034 -2.979 -0.641 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.629 -3.732 -1.836 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.373 -1.665 -1.153 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.831 -0.825 -0.057 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.446 -1.073 1.270 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.885 -0.431 0.118 0.00 0.00 -0.012 A ATOM 18 C LIG 1 3.591 0.230 -0.892 0.00 0.00 +0.048 A ATOM 19 C LIG 1 4.986 0.340 -0.846 0.00 0.00 +0.145 A ATOM 20 F LIG 1 5.574 0.969 -1.878 0.00 0.00 -0.204 F ATOM 21 C LIG 1 5.759 -0.200 0.199 0.00 0.00 +0.066 A ATOM 22 C LIG 1 5.034 -0.853 1.209 0.00 0.00 +0.026 A ATOM 23 C LIG 1 3.634 -0.968 1.171 0.00 0.00 +0.010 A BRANCH 21 24 ATOM 24 N LIG 1 7.141 -0.093 0.271 0.00 0.00 -0.323 N ATOM 25 C LIG 1 7.957 -1.083 0.994 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.308 -1.281 0.286 0.00 0.00 +0.178 C ATOM 27 O LIG 1 10.084 -0.081 0.164 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 9.282 1.101 0.032 0.00 0.00 +0.178 C ATOM 29 C LIG 1 7.888 0.855 -0.571 0.00 0.00 +0.133 C ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.650 1.548 -0.537 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.627 1.260 -0.510 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.321 2.834 -0.879 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.200 3.306 -1.019 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.517 3.680 -1.160 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.502 4.068 -0.156 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.535 4.856 -0.520 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.676 5.324 -1.921 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.619 6.026 -2.262 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.690 4.920 -2.785 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.774 5.255 -3.738 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.631 4.126 -2.422 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.320 3.612 1.257 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.074 3.846 1.729 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.179 4.226 2.112 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.558 2.281 1.377 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6