REMARK Name = BDB050724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.364 0.441 -0.068 0.00 0.00 +0.075 A ATOM 2 C LIG 1 1.280 1.669 -0.712 0.00 0.00 +0.170 A ATOM 3 F LIG 1 0.234 1.970 -1.495 0.00 0.00 -0.202 F ATOM 4 C LIG 1 2.300 2.598 -0.547 0.00 0.00 +0.159 A ATOM 5 F LIG 1 2.218 3.794 -1.146 0.00 0.00 -0.202 F ATOM 6 C LIG 1 3.417 2.304 0.233 0.00 0.00 +0.045 A ATOM 7 C LIG 1 3.537 1.050 0.853 0.00 0.00 -0.038 A ATOM 8 C LIG 1 2.493 0.124 0.704 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 9 C LIG 1 -5.096 0.185 1.342 0.00 0.00 +0.247 C ATOM 10 N LIG 1 -3.803 0.080 0.839 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -3.420 -0.754 -0.311 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.004 -1.331 -0.179 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -0.993 -0.304 0.081 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.327 -0.590 -0.244 0.00 0.00 +0.250 C ATOM 15 O LIG 1 0.699 -1.690 -0.649 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -1.443 0.889 0.817 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -2.710 0.631 1.642 0.00 0.00 +0.127 C ATOM 18 O LIG 1 -5.347 0.645 2.453 0.00 0.00 -0.270 OA BRANCH 9 23 ATOM 19 C LIG 1 -9.600 -1.596 -1.815 0.00 0.00 +0.044 C ATOM 20 C LIG 1 -8.411 -1.154 -1.012 0.00 0.00 -0.050 A ATOM 21 C LIG 1 -7.502 -0.229 -1.545 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.415 0.211 -0.787 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -6.230 -0.278 0.509 0.00 0.00 +0.037 A ATOM 24 C LIG 1 -7.152 -1.169 1.064 0.00 0.00 +0.013 A ATOM 25 C LIG 1 -8.238 -1.607 0.303 0.00 0.00 +0.004 A ENDBRANCH 9 23 ENDBRANCH 1 14 BRANCH 7 26 ATOM 26 C LIG 1 4.748 0.708 1.692 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 6.069 0.955 0.974 0.00 0.00 +0.074 A ATOM 28 C LIG 1 6.565 -0.018 -0.034 0.00 0.00 +0.011 A ATOM 29 C LIG 1 7.774 0.280 -0.661 0.00 0.00 +0.050 A ATOM 30 C LIG 1 8.309 -0.582 -1.627 0.00 0.00 +0.014 A ATOM 31 C LIG 1 7.629 -1.750 -1.966 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.420 -2.054 -1.343 0.00 0.00 +0.001 A ATOM 33 C LIG 1 8.487 1.515 -0.299 0.00 0.00 +0.272 A ATOM 34 O LIG 1 9.555 1.815 -0.822 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 7.887 2.302 0.652 0.00 0.00 -0.242 N ATOM 36 H LIG 1 8.367 3.158 0.915 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 5.887 -1.193 -0.377 0.00 0.00 +0.010 A ATOM 38 N LIG 1 6.710 2.046 1.281 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 4