REMARK Name = BDB009330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.876 -0.493 1.804 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.989 -1.481 2.774 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.289 -1.413 3.915 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.810 -2.581 2.554 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.532 -2.683 1.361 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.451 -1.676 0.384 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.601 -0.582 0.609 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 N LIG 1 -5.706 0.111 -1.002 0.00 0.00 -0.286 N ATOM 9 C LIG 1 -4.807 1.169 -0.861 0.00 0.00 +0.305 C ATOM 10 N LIG 1 -3.835 1.025 0.119 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -3.293 -0.284 0.512 0.00 0.00 +0.128 C ATOM 12 C LIG 1 -1.756 -0.309 0.525 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.189 0.755 1.367 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.017 0.672 2.052 0.00 0.00 +0.249 C ATOM 15 O LIG 1 0.427 1.533 2.825 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -2.004 1.962 1.539 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -2.969 2.182 0.370 0.00 0.00 +0.128 C ATOM 18 O LIG 1 -4.850 2.165 -1.584 0.00 0.00 -0.252 OA BRANCH 8 20 ATOM 19 C LIG 1 -6.961 -1.310 -2.640 0.00 0.00 +0.024 C ATOM 20 C LIG 1 -6.408 0.062 -2.288 0.00 0.00 +0.106 C ENDBRANCH 8 20 BRANCH 8 21 ATOM 21 C LIG 1 -6.450 -0.329 0.189 0.00 0.00 +0.106 C ATOM 22 C LIG 1 -7.695 0.505 0.467 0.00 0.00 +0.024 C ENDBRANCH 8 21 ENDBRANCH 1 14 BRANCH 6 23 ATOM 23 C LIG 1 3.233 -1.815 -0.906 0.00 0.00 +0.092 C BRANCH 23 24 ATOM 24 C LIG 1 3.907 -0.526 -1.366 0.00 0.00 +0.069 A ATOM 25 C LIG 1 5.222 -0.126 -0.772 0.00 0.00 -0.016 A ATOM 26 C LIG 1 5.876 -0.961 0.294 0.00 0.00 +0.037 C ATOM 27 C LIG 1 7.041 -0.254 0.992 0.00 0.00 +0.005 C ATOM 28 C LIG 1 7.920 0.484 -0.009 0.00 0.00 +0.005 C ATOM 29 C LIG 1 7.110 1.525 -0.784 0.00 0.00 +0.041 C ATOM 30 C LIG 1 5.775 1.005 -1.241 0.00 0.00 +0.023 A ATOM 31 C LIG 1 5.071 1.808 -2.273 0.00 0.00 +0.268 A ATOM 32 O LIG 1 5.543 2.849 -2.717 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 3.867 1.313 -2.697 0.00 0.00 -0.243 N ATOM 34 H LIG 1 3.375 1.845 -3.409 0.00 0.00 +0.192 HD ATOM 35 N LIG 1 3.279 0.164 -2.272 0.00 0.00 -0.175 NA ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 5