REMARK Name = BDB050760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.930 -1.495 0.163 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -0.996 -2.821 -0.241 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.200 -3.751 0.306 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.885 -3.180 -1.244 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -1.945 -4.450 -1.666 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -2.722 -2.231 -1.833 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.689 -0.894 -1.407 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.772 -0.530 -0.407 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 -0.537 -0.860 2.339 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.025 -1.098 1.249 0.00 0.00 +0.250 C ATOM 11 N LIG 1 1.329 -0.970 0.976 0.00 0.00 -0.294 N ATOM 12 C LIG 1 2.223 -0.497 2.037 0.00 0.00 +0.127 C ATOM 13 C LIG 1 3.259 0.521 1.526 0.00 0.00 +0.124 C ATOM 14 N LIG 1 4.027 0.004 0.374 0.00 0.00 -0.327 N ATOM 15 C LIG 1 3.479 -1.170 -0.321 0.00 0.00 +0.124 C ATOM 16 C LIG 1 1.938 -1.134 -0.350 0.00 0.00 +0.127 C BRANCH 14 17 ATOM 17 C LIG 1 5.327 0.439 0.158 0.00 0.00 +0.030 A ATOM 18 C LIG 1 5.749 1.716 0.568 0.00 0.00 +0.027 A ATOM 19 C LIG 1 7.055 2.172 0.351 0.00 0.00 +0.047 A ATOM 20 C LIG 1 7.970 1.353 -0.288 0.00 0.00 +0.117 A ATOM 21 C LIG 1 7.597 0.088 -0.715 0.00 0.00 +0.047 A ATOM 22 C LIG 1 6.286 -0.356 -0.494 0.00 0.00 +0.027 A BRANCH 20 23 ATOM 23 O LIG 1 9.231 1.831 -0.481 0.00 0.00 -0.507 OA ATOM 24 H LIG 1 9.753 1.149 -0.935 0.00 0.00 +0.292 HD ENDBRANCH 20 23 ENDBRANCH 14 17 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 -3.589 0.130 -2.064 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -4.209 1.127 -1.093 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.350 0.720 -0.234 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -5.863 1.680 0.637 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -6.936 1.376 1.483 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.499 0.101 1.457 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.991 -0.864 0.588 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.263 3.024 0.659 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -5.689 3.903 1.400 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -4.211 3.230 -0.199 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -3.784 4.151 -0.194 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.920 -0.559 -0.258 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -3.685 2.317 -1.058 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 5