REMARK Name = BDB001061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.034 3.219 1.193 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.098 4.350 0.396 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.223 5.079 0.410 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.930 4.722 -0.464 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.097 3.956 -0.527 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.248 2.820 0.283 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.211 2.461 1.157 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 4.053 -2.823 2.230 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 3.857 -2.082 1.269 0.00 0.00 +0.247 C ATOM 10 N LIG 1 3.284 -0.819 1.387 0.00 0.00 -0.295 N ATOM 11 C LIG 1 2.989 -0.327 2.736 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.751 1.185 2.780 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.714 1.619 1.839 0.00 0.00 -0.294 N ATOM 14 C LIG 1 1.065 2.825 2.087 0.00 0.00 +0.249 C ATOM 15 O LIG 1 1.333 3.561 3.032 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.511 0.786 0.645 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.757 -0.029 0.266 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 4.248 -2.569 -0.072 0.00 0.00 +0.037 A ATOM 19 C LIG 1 3.769 -3.809 -0.503 0.00 0.00 +0.013 A ATOM 20 C LIG 1 4.134 -4.294 -1.759 0.00 0.00 +0.001 A ATOM 21 C LIG 1 4.988 -3.548 -2.573 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.487 -2.321 -2.131 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.125 -1.832 -0.876 0.00 0.00 +0.013 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -3.496 1.970 0.198 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -3.348 0.686 -0.616 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -4.536 -0.202 -0.744 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -4.387 -1.369 -1.490 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -5.461 -2.253 -1.655 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -6.692 -1.964 -1.068 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.848 -0.798 -0.320 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.085 -1.664 -2.108 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -2.908 -2.676 -2.777 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -2.091 -0.742 -1.889 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -1.191 -0.925 -2.321 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -5.775 0.084 -0.155 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -2.203 0.405 -1.168 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4