REMARK Name = BDB032339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.603 -1.709 -0.852 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -0.312 -1.019 -0.033 0.00 0.00 -0.009 A ATOM 3 C LIG 1 0.209 0.036 0.720 0.00 0.00 +0.118 A ATOM 4 N LIG 1 1.504 0.438 0.732 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 2.373 -0.203 -0.062 0.00 0.00 +0.122 A ATOM 6 C LIG 1 1.949 -1.275 -0.848 0.00 0.00 +0.048 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 3.725 0.195 -0.082 0.00 0.00 -0.306 N ATOM 8 C LIG 1 4.155 0.627 -1.436 0.00 0.00 +0.182 C ATOM 9 C LIG 1 5.481 1.315 -1.444 0.00 0.00 +0.151 A ATOM 10 N LIG 1 6.223 1.692 -2.462 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 7.351 2.300 -1.955 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 7.279 2.281 -0.634 0.00 0.00 +0.238 A ATOM 13 N LIG 1 6.104 1.677 -0.282 0.00 0.00 -0.305 N ATOM 14 C LIG 1 5.569 1.394 1.033 0.00 0.00 +0.144 C ATOM 15 C LIG 1 4.051 1.174 0.976 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 8.252 2.805 0.352 0.00 0.00 +0.452 C ATOM 17 F LIG 1 9.424 3.206 -0.198 0.00 0.00 -0.163 F ATOM 18 F LIG 1 7.746 3.869 1.030 0.00 0.00 -0.163 F ATOM 19 F LIG 1 8.558 1.871 1.293 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 5 7 BRANCH 1 21 ATOM 20 C LIG 1 -0.536 -4.011 -1.183 0.00 0.00 +0.012 C ATOM 21 C LIG 1 0.277 -2.867 -1.792 0.00 0.00 +0.013 C ATOM 22 C LIG 1 -0.354 -2.367 -3.095 0.00 0.00 +0.012 C ENDBRANCH 1 21 BRANCH 2 23 ATOM 23 C LIG 1 -1.779 -1.383 0.064 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 -2.558 -0.436 0.867 0.00 0.00 -0.339 N ATOM 25 H LIG 1 -2.350 -0.561 1.859 0.00 0.00 +0.146 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.970 -0.446 0.741 0.00 0.00 +0.035 A ATOM 27 C LIG 1 -4.704 0.699 1.173 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -6.120 0.691 1.147 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -6.800 1.857 1.582 0.00 0.00 +0.124 A ATOM 30 N LIG 1 -6.169 2.964 2.010 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 -4.825 2.953 2.014 0.00 0.00 +0.113 A ATOM 32 C LIG 1 -6.779 -0.474 0.694 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -6.063 -1.597 0.289 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -4.066 1.869 1.616 0.00 0.00 +0.030 A ATOM 35 C LIG 1 -4.672 -1.585 0.324 0.00 0.00 +0.023 A BRANCH 29 36 ATOM 36 N LIG 1 -8.203 1.927 1.584 0.00 0.00 -0.343 N ATOM 37 H LIG 1 -8.543 1.798 0.638 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -8.575 1.191 2.174 0.00 0.00 +0.144 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 7