REMARK Name = BDB060060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.406 2.263 1.171 0.00 0.00 +0.078 C ATOM 2 C LIG 1 2.735 2.902 -0.062 0.00 0.00 +0.032 C ATOM 3 C LIG 1 1.382 3.525 0.261 0.00 0.00 +0.109 C ATOM 4 N LIG 1 0.523 2.548 0.916 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -0.681 2.196 0.310 0.00 0.00 +0.249 C ATOM 6 O LIG 1 -1.054 2.626 -0.780 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.068 1.870 2.094 0.00 0.00 +0.109 C ATOM 8 C LIG 1 2.501 2.295 2.413 0.00 0.00 +0.032 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.549 1.203 0.963 0.00 0.00 +0.072 A ATOM 10 C LIG 1 -2.186 1.487 2.166 0.00 0.00 +0.135 A ATOM 11 F LIG 1 -2.000 2.661 2.786 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.033 0.550 2.747 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.265 -0.670 2.106 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.663 -0.955 0.869 0.00 0.00 -0.041 A ATOM 15 C LIG 1 -1.790 -0.010 0.308 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 -2.927 -2.265 0.161 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 -4.411 -2.554 -0.034 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -5.171 -1.867 -1.111 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -6.528 -2.163 -1.218 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -7.317 -1.555 -2.203 0.00 0.00 +0.014 A ATOM 21 C LIG 1 -6.742 -0.645 -3.087 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.385 -0.344 -2.986 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -7.131 -3.126 -0.283 0.00 0.00 +0.272 A ATOM 24 O LIG 1 -8.321 -3.415 -0.339 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 -6.284 -3.675 0.648 0.00 0.00 -0.242 N ATOM 26 H LIG 1 -6.683 -4.343 1.300 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 -4.598 -0.953 -2.003 0.00 0.00 +0.010 A ATOM 28 N LIG 1 -4.959 -3.405 0.785 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 31 ATOM 29 N LIG 1 4.846 0.809 -0.121 0.00 0.00 -0.284 N ATOM 30 H LIG 1 5.149 1.685 -0.539 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 3.871 0.837 0.856 0.00 0.00 +0.220 C ATOM 32 O LIG 1 3.414 -0.140 1.441 0.00 0.00 -0.275 OA BRANCH 29 34 ATOM 33 C LIG 1 6.444 -0.029 -1.690 0.00 0.00 +0.046 A ATOM 34 C LIG 1 5.480 -0.313 -0.694 0.00 0.00 +0.057 A ATOM 35 C LIG 1 5.195 -1.635 -0.359 0.00 0.00 +0.063 A ATOM 36 C LIG 1 5.887 -2.662 -0.994 0.00 0.00 +0.125 A ATOM 37 F LIG 1 5.614 -3.934 -0.676 0.00 0.00 -0.205 F ATOM 38 C LIG 1 6.866 -2.396 -1.945 0.00 0.00 +0.040 A ATOM 39 C LIG 1 7.160 -1.076 -2.281 0.00 0.00 +0.027 A BRANCH 33 40 ATOM 40 N LIG 1 6.842 1.317 -1.911 0.00 0.00 -0.357 N ATOM 41 H LIG 1 7.276 1.421 -2.827 0.00 0.00 +0.142 HD ATOM 42 H LIG 1 7.528 1.580 -1.202 0.00 0.00 +0.142 HD ENDBRANCH 33 40 ENDBRANCH 29 34 ENDBRANCH 1 31 TORSDOF 6