REMARK Name = BDB062724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.493 -0.985 0.061 0.00 0.00 -0.291 N ATOM 2 C LIG 1 1.414 -1.623 0.659 0.00 0.00 +0.247 C ATOM 3 O LIG 1 1.522 -2.625 1.360 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.064 -1.022 0.441 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.064 -1.741 0.865 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.352 -1.212 0.716 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.490 0.059 0.144 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.369 0.788 -0.287 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -0.078 0.246 -0.153 0.00 0.00 -0.026 A ATOM 10 C LIG 1 1.166 0.995 -0.561 0.00 0.00 +0.055 C ATOM 11 C LIG 1 2.266 0.022 -0.966 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.592 2.102 -0.848 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -1.591 3.387 -0.236 0.00 0.00 +0.173 A ATOM 14 N LIG 1 -1.861 4.345 -1.148 0.00 0.00 -0.167 NA ATOM 15 N LIG 1 -2.038 3.673 -2.300 0.00 0.00 -0.273 N ATOM 16 C LIG 1 -2.351 4.403 -3.505 0.00 0.00 +0.172 C ATOM 17 C LIG 1 -1.895 2.325 -2.172 0.00 0.00 +0.117 A BRANCH 13 18 ATOM 18 C LIG 1 -1.335 3.679 1.218 0.00 0.00 +0.437 C ATOM 19 F LIG 1 -0.084 3.298 1.596 0.00 0.00 -0.164 F ATOM 20 F LIG 1 -1.452 4.994 1.541 0.00 0.00 -0.164 F ATOM 21 F LIG 1 -2.202 3.006 2.026 0.00 0.00 -0.164 F ENDBRANCH 13 18 ENDBRANCH 8 12 BRANCH 1 22 ATOM 22 C LIG 1 3.816 -1.607 0.129 0.00 0.00 +0.163 C BRANCH 22 25 ATOM 23 C LIG 1 4.058 -0.714 2.996 0.00 0.00 +0.045 C ATOM 24 C LIG 1 5.003 -0.242 1.931 0.00 0.00 -0.028 A ATOM 25 C LIG 1 4.899 -0.653 0.593 0.00 0.00 +0.061 A ATOM 26 N LIG 1 5.741 -0.199 -0.377 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 6.708 0.670 -0.016 0.00 0.00 +0.111 A ATOM 28 C LIG 1 6.883 1.130 1.274 0.00 0.00 +0.020 A ATOM 29 C LIG 1 6.015 0.670 2.257 0.00 0.00 +0.006 A ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 6 30 ATOM 30 C LIG 1 -3.560 -1.999 1.159 0.00 0.00 +0.158 C BRANCH 30 31 ATOM 31 N LIG 1 -3.957 -2.981 0.162 0.00 0.00 -0.330 N ATOM 32 C LIG 1 -4.876 -2.824 -0.852 0.00 0.00 +0.107 A ATOM 33 C LIG 1 -5.613 -1.567 -1.132 0.00 0.00 +0.086 C ATOM 34 N LIG 1 -5.003 -3.943 -1.538 0.00 0.00 -0.241 NA ATOM 35 C LIG 1 -4.160 -4.846 -0.949 0.00 0.00 +0.130 A ATOM 36 C LIG 1 -3.508 -4.276 0.115 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 6