REMARK Name = BDB063443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.207 -0.523 -1.087 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.930 -0.454 -2.055 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -2.216 -1.147 -0.362 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -1.065 -0.896 -1.020 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 0.078 -0.798 -0.320 0.00 0.00 +0.221 A ATOM 6 N LIG 1 0.142 -0.949 1.008 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -1.006 -1.220 1.646 0.00 0.00 +0.118 A ATOM 8 C LIG 1 -2.214 -1.333 1.009 0.00 0.00 +0.064 A BRANCH 3 9 ATOM 9 N LIG 1 -3.441 -1.275 -1.075 0.00 0.00 -0.288 N ATOM 10 C LIG 1 -3.283 -1.118 -2.526 0.00 0.00 +0.137 C BRANCH 9 14 ATOM 11 C LIG 1 -7.233 0.149 0.232 0.00 0.00 -0.045 A ATOM 12 C LIG 1 -6.069 0.881 0.501 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.818 0.420 0.076 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -4.697 -0.784 -0.630 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -5.864 -1.511 -0.902 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -7.114 -1.054 -0.476 0.00 0.00 +0.006 A BRANCH 11 18 ATOM 17 C LIG 1 -8.973 1.962 0.030 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -8.601 0.629 0.684 0.00 0.00 +0.013 C ATOM 19 C LIG 1 -8.688 0.727 2.209 0.00 0.00 +0.012 C ENDBRANCH 11 18 ENDBRANCH 9 14 ENDBRANCH 3 9 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 2.563 -0.348 -0.801 0.00 0.00 +0.034 A ATOM 21 C LIG 1 3.108 -0.427 0.482 0.00 0.00 +0.024 A ATOM 22 C LIG 1 4.481 -0.240 0.710 0.00 0.00 +0.013 A ATOM 23 C LIG 1 5.354 0.034 -0.348 0.00 0.00 +0.017 A ATOM 24 C LIG 1 4.813 0.117 -1.636 0.00 0.00 +0.013 A ATOM 25 C LIG 1 3.442 -0.071 -1.857 0.00 0.00 +0.024 A BRANCH 23 26 ATOM 26 C LIG 1 6.796 0.237 -0.162 0.00 0.00 +0.139 A ATOM 27 N LIG 1 7.451 0.140 1.047 0.00 0.00 -0.338 N ATOM 28 H LIG 1 7.020 -0.081 1.931 0.00 0.00 +0.167 HD ATOM 29 C LIG 1 8.786 0.388 0.852 0.00 0.00 +0.069 A ATOM 30 C LIG 1 8.890 0.632 -0.512 0.00 0.00 +0.092 A ATOM 31 C LIG 1 10.141 0.927 -1.071 0.00 0.00 +0.071 A ATOM 32 C LIG 1 11.244 0.963 -0.217 0.00 0.00 +0.161 A ATOM 33 C LIG 1 11.114 0.714 1.147 0.00 0.00 +0.160 A ATOM 34 F LIG 1 12.197 0.757 1.937 0.00 0.00 -0.202 F ATOM 35 F LIG 1 12.451 1.243 -0.729 0.00 0.00 -0.202 F ATOM 36 C LIG 1 9.877 0.418 1.723 0.00 0.00 +0.069 A ATOM 37 N LIG 1 7.664 0.534 -1.115 0.00 0.00 -0.228 NA ENDBRANCH 23 26 ENDBRANCH 1 20 TORSDOF 6