REMARK Name = BDB050757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.628 -0.429 -1.712 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -0.733 -1.135 -2.902 0.00 0.00 +0.170 A ATOM 3 F LIG 1 0.054 -0.849 -3.950 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.643 -2.179 -2.991 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -1.743 -2.890 -4.123 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -2.458 -2.515 -1.909 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.381 -1.789 -0.710 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.444 -0.746 -0.616 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 0.065 1.700 -2.281 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.313 0.696 -1.621 0.00 0.00 +0.250 C ATOM 11 N LIG 1 1.398 0.584 -0.764 0.00 0.00 -0.294 N ATOM 12 C LIG 1 2.272 1.750 -0.597 0.00 0.00 +0.127 C ATOM 13 C LIG 1 3.098 1.678 0.696 0.00 0.00 +0.124 C ATOM 14 N LIG 1 3.924 0.452 0.755 0.00 0.00 -0.327 N ATOM 15 C LIG 1 3.344 -0.744 0.093 0.00 0.00 +0.124 C ATOM 16 C LIG 1 1.814 -0.643 -0.066 0.00 0.00 +0.127 C BRANCH 14 17 ATOM 17 C LIG 1 5.314 0.543 0.592 0.00 0.00 +0.031 A ATOM 18 C LIG 1 6.136 -0.458 1.136 0.00 0.00 +0.043 A ATOM 19 C LIG 1 7.524 -0.413 0.993 0.00 0.00 +0.043 A ATOM 20 CL LIG 1 8.495 -1.658 1.679 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 8.129 0.631 0.302 0.00 0.00 +0.020 A ATOM 22 C LIG 1 7.336 1.633 -0.248 0.00 0.00 +0.003 A ATOM 23 C LIG 1 5.944 1.587 -0.102 0.00 0.00 +0.023 A ENDBRANCH 14 17 ENDBRANCH 1 10 BRANCH 7 24 ATOM 24 C LIG 1 -3.254 -2.173 0.464 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -3.849 -0.983 1.206 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -5.017 -0.261 0.640 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -5.505 0.824 1.367 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -6.601 1.560 0.902 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -7.210 1.209 -0.302 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.726 0.127 -1.035 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -4.854 1.190 2.635 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -5.255 2.130 3.313 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -3.781 0.419 3.008 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -3.323 0.657 3.883 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -5.632 -0.610 -0.568 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -3.279 -0.643 2.324 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 4