REMARK Name = BDB050744 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.757 -0.275 0.279 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -0.764 -1.665 0.280 0.00 0.00 +0.170 A ATOM 3 F LIG 1 0.139 -2.361 0.987 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.723 -2.344 -0.459 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -1.722 -3.684 -0.485 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -2.696 -1.651 -1.179 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.731 -0.249 -1.151 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.744 0.434 -0.424 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 9 N LIG 1 4.488 0.184 0.490 0.00 0.00 -0.327 N ATOM 10 C LIG 1 3.899 0.359 1.831 0.00 0.00 +0.124 C ATOM 11 C LIG 1 2.507 1.011 1.760 0.00 0.00 +0.127 C ATOM 12 N LIG 1 1.576 0.292 0.888 0.00 0.00 -0.294 N ATOM 13 C LIG 1 0.216 0.491 1.077 0.00 0.00 +0.250 C ATOM 14 O LIG 1 -0.241 1.314 1.869 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 2.184 -0.475 -0.208 0.00 0.00 +0.127 C ATOM 16 C LIG 1 3.555 0.078 -0.645 0.00 0.00 +0.124 C BRANCH 9 20 ATOM 17 C LIG 1 8.682 0.014 -0.069 0.00 0.00 +0.052 A ATOM 18 C LIG 1 7.841 0.341 -1.131 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.453 0.394 -0.939 0.00 0.00 +0.024 A ATOM 20 C LIG 1 5.860 0.129 0.307 0.00 0.00 +0.030 A ATOM 21 C LIG 1 6.735 -0.196 1.357 0.00 0.00 +0.024 A ATOM 22 C LIG 1 8.125 -0.255 1.179 0.00 0.00 +0.020 A BRANCH 17 24 ATOM 23 N LIG 1 11.251 -0.088 -0.412 0.00 0.00 -0.191 NA ATOM 24 C LIG 1 10.101 -0.043 -0.258 0.00 0.00 +0.099 C ENDBRANCH 17 24 ENDBRANCH 9 20 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 C LIG 1 -3.788 0.520 -1.913 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -5.207 0.046 -1.625 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.891 0.456 -0.371 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -7.183 -0.026 -0.167 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.897 0.309 0.990 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.312 1.133 1.950 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.020 1.619 1.752 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.795 -0.897 -1.184 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -8.929 -1.340 -1.049 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -7.021 -1.177 -2.283 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -7.429 -1.776 -2.995 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.309 1.285 0.595 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -5.759 -0.728 -2.513 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 5