REMARK Name = BDB050749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.936 0.131 0.695 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -1.102 0.877 1.856 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.263 0.741 2.893 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -2.160 1.772 1.947 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -2.316 2.514 3.052 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -3.072 1.912 0.901 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.944 1.132 -0.258 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.859 0.247 -0.356 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 9 N LIG 1 4.302 0.280 1.000 0.00 0.00 -0.324 N ATOM 10 C LIG 1 3.362 1.109 0.220 0.00 0.00 +0.124 C ATOM 11 C LIG 1 1.927 0.942 0.754 0.00 0.00 +0.127 C ATOM 12 N LIG 1 1.467 -0.455 0.709 0.00 0.00 -0.294 N ATOM 13 C LIG 1 0.148 -0.858 0.565 0.00 0.00 +0.250 C ATOM 14 O LIG 1 -0.184 -2.010 0.289 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 2.521 -1.473 0.622 0.00 0.00 +0.127 C ATOM 16 C LIG 1 3.814 -1.074 1.356 0.00 0.00 +0.124 C BRANCH 9 18 ATOM 17 C LIG 1 6.041 -0.380 -0.680 0.00 0.00 +0.141 A ATOM 18 C LIG 1 5.610 0.325 0.470 0.00 0.00 +0.072 A ATOM 19 C LIG 1 6.528 1.153 1.138 0.00 0.00 +0.027 A ATOM 20 C LIG 1 7.844 1.277 0.697 0.00 0.00 +0.002 A ATOM 21 C LIG 1 8.263 0.576 -0.427 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.367 -0.247 -1.114 0.00 0.00 +0.047 A BRANCH 17 24 ATOM 23 C LIG 1 5.516 -1.899 -2.450 0.00 0.00 +0.277 C ATOM 24 O LIG 1 5.100 -1.153 -1.315 0.00 0.00 -0.493 OA ENDBRANCH 17 24 ENDBRANCH 9 18 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 C LIG 1 -3.931 1.258 -1.397 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -5.384 1.140 -0.954 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.970 -0.194 -0.660 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -7.300 -0.226 -0.247 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.927 -1.441 0.055 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.214 -2.634 -0.056 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.883 -2.610 -0.469 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -8.047 1.037 -0.130 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -9.221 1.057 0.224 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -7.353 2.180 -0.441 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -7.854 3.061 -0.365 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.259 -1.395 -0.772 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -6.056 2.248 -0.842 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 5