REMARK Name = BDB006432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.589 -4.020 -3.243 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.180 -3.538 -2.062 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.366 -2.969 -0.869 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.699 -2.660 -0.021 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.499 -2.086 1.247 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.810 -1.813 1.653 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.892 -2.099 0.818 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.861 -3.024 -0.679 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.680 -2.690 -0.436 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.560 -3.557 -1.918 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.600 -4.044 -2.871 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.292 -1.807 1.228 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.463 -0.711 2.050 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.704 -0.047 2.102 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.214 -2.501 0.814 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.790 -0.203 2.363 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.845 0.235 3.828 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.159 0.892 1.373 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.833 0.541 0.192 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -6.170 1.506 -0.760 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -5.839 2.851 -0.556 0.00 0.00 +0.055 A ATOM 22 C LIG 1 -5.143 3.204 0.609 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -4.805 2.236 1.561 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 -6.180 3.893 -1.592 0.00 0.00 +0.417 C ATOM 25 F LIG 1 -6.416 5.123 -1.053 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -7.293 3.588 -2.316 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -5.180 4.071 -2.499 0.00 0.00 -0.166 F ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 3.203 -2.905 -0.103 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 3.704 -1.481 -0.024 0.00 0.00 -0.028 A ATOM 30 C LIG 1 4.442 -1.072 1.096 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.948 0.230 1.184 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.743 1.159 0.154 0.00 0.00 -0.018 A ATOM 33 C LIG 1 4.019 0.739 -0.971 0.00 0.00 +0.009 A ATOM 34 C LIG 1 3.512 -0.562 -1.064 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 5.276 2.529 0.248 0.00 0.00 -0.018 A ATOM 36 C LIG 1 6.077 3.066 -0.772 0.00 0.00 +0.008 A ATOM 37 C LIG 1 6.584 4.366 -0.683 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.296 5.151 0.430 0.00 0.00 +0.000 A ATOM 39 C LIG 1 5.503 4.639 1.453 0.00 0.00 +0.001 A ATOM 40 C LIG 1 4.998 3.338 1.362 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 7