REMARK Name = BDB009980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.782 -0.665 -0.063 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.272 0.557 0.366 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -2.056 1.696 0.295 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.392 2.796 0.752 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -0.216 2.360 1.160 0.00 0.00 +0.145 A ATOM 6 N LIG 1 -3.314 1.723 -0.165 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -3.752 0.509 -0.523 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.092 0.998 0.928 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -3.059 -0.653 -0.488 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 0.803 3.218 1.762 0.00 0.00 +0.030 A ATOM 11 C LIG 1 1.618 4.077 1.003 0.00 0.00 +0.047 A ATOM 12 C LIG 1 2.628 4.820 1.636 0.00 0.00 +0.014 A ATOM 13 C LIG 1 2.798 4.752 3.018 0.00 0.00 +0.001 A ATOM 14 C LIG 1 1.964 3.939 3.780 0.00 0.00 +0.001 A ATOM 15 C LIG 1 0.972 3.179 3.158 0.00 0.00 +0.012 A BRANCH 11 16 ATOM 16 C LIG 1 1.509 4.240 -0.469 0.00 0.00 +0.242 C ATOM 17 O LIG 1 2.512 4.297 -1.170 0.00 0.00 -0.270 OA ATOM 18 N LIG 1 0.261 4.350 -1.004 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -0.591 4.249 -0.455 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 0.166 4.463 -2.003 0.00 0.00 +0.145 HD ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 21 ATOM 21 N LIG 1 -1.033 -1.831 -0.055 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -0.104 -1.655 -0.423 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -1.869 -3.049 -2.065 0.00 0.00 +0.028 C ATOM 24 C LIG 1 -1.563 -3.097 -0.571 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -2.724 -3.594 0.249 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -2.517 -4.046 1.675 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -2.845 -5.055 0.610 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 7 28 ATOM 28 C LIG 1 -5.170 0.447 -1.028 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -5.949 1.379 -1.141 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -5.562 -0.801 -1.379 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -6.486 -0.679 -1.679 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 1.040 0.168 1.325 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 1.900 -0.306 0.174 0.00 0.00 -0.028 A ATOM 34 C LIG 1 2.173 0.488 -0.948 0.00 0.00 +0.006 A ATOM 35 C LIG 1 2.999 0.018 -1.973 0.00 0.00 +0.013 A ATOM 36 C LIG 1 3.576 -1.257 -1.901 0.00 0.00 +0.055 A ATOM 37 C LIG 1 3.328 -2.043 -0.767 0.00 0.00 +0.013 A ATOM 38 C LIG 1 2.506 -1.571 0.259 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 4.487 -1.755 -2.996 0.00 0.00 +0.417 C ATOM 40 F LIG 1 4.409 -3.105 -3.172 0.00 0.00 -0.166 F ATOM 41 F LIG 1 4.215 -1.208 -4.213 0.00 0.00 -0.166 F ATOM 42 F LIG 1 5.797 -1.487 -2.745 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10