REMARK Name = BDB057955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.215 -0.011 -1.436 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.609 0.589 -0.478 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.646 1.452 -0.875 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.822 1.706 -2.246 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.012 1.084 -3.200 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.000 0.214 -2.797 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -2.459 -2.497 1.380 0.00 0.00 +0.030 C ATOM 8 C LIG 1 -3.187 -1.536 0.433 0.00 0.00 +0.093 C ATOM 9 N LIG 1 -2.251 -0.511 -0.105 0.00 0.00 -0.286 N ATOM 10 C LIG 1 -1.288 -0.942 -1.024 0.00 0.00 +0.247 C ATOM 11 O LIG 1 -1.266 -2.076 -1.496 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -2.516 0.918 0.150 0.00 0.00 +0.184 C ATOM 13 C LIG 1 -3.974 1.172 0.066 0.00 0.00 +0.151 A ATOM 14 N LIG 1 -4.632 2.201 -0.415 0.00 0.00 -0.132 NA ATOM 15 N LIG 1 -5.978 1.948 -0.249 0.00 0.00 -0.125 NA ATOM 16 C LIG 1 -6.114 0.767 0.333 0.00 0.00 +0.238 A ATOM 17 N LIG 1 -4.867 0.258 0.540 0.00 0.00 -0.305 N ATOM 18 C LIG 1 -4.427 -0.968 1.156 0.00 0.00 +0.147 C BRANCH 16 19 ATOM 19 C LIG 1 -7.358 0.067 0.726 0.00 0.00 +0.452 C ATOM 20 F LIG 1 -8.482 0.798 0.535 0.00 0.00 -0.163 F ATOM 21 F LIG 1 -7.515 -1.094 0.034 0.00 0.00 -0.163 F ATOM 22 F LIG 1 -7.332 -0.282 2.041 0.00 0.00 -0.163 F ENDBRANCH 16 19 ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 C LIG 1 2.535 2.119 0.169 0.00 0.00 +0.318 C ATOM 24 F LIG 1 1.768 2.929 0.970 0.00 0.00 -0.193 F ATOM 25 F LIG 1 3.436 2.984 -0.396 0.00 0.00 -0.193 F BRANCH 23 26 ATOM 26 C LIG 1 3.265 1.057 1.027 0.00 0.00 +0.142 A ATOM 27 C LIG 1 4.492 0.392 0.504 0.00 0.00 +0.016 A ATOM 28 C LIG 1 5.082 -0.581 1.313 0.00 0.00 +0.050 A ATOM 29 C LIG 1 6.234 -1.262 0.897 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.803 -0.970 -0.340 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.224 -0.001 -1.154 0.00 0.00 +0.001 A ATOM 32 C LIG 1 4.487 -0.895 2.621 0.00 0.00 +0.272 A ATOM 33 O LIG 1 4.977 -1.735 3.367 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 3.354 -0.195 2.949 0.00 0.00 -0.242 N ATOM 35 H LIG 1 2.935 -0.393 3.854 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 5.074 0.679 -0.737 0.00 0.00 +0.011 A ATOM 37 N LIG 1 2.746 0.750 2.186 0.00 0.00 -0.169 NA ENDBRANCH 23 26 ENDBRANCH 3 23 TORSDOF 4