REMARK Name = BDB037390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.970 -0.018 -1.900 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.452 -0.159 -0.593 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.309 -1.290 0.199 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -2.411 -1.179 1.102 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -3.009 0.019 1.003 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -0.359 -2.402 -0.181 0.00 0.00 +0.057 C ATOM 7 C LIG 1 0.622 -1.838 -1.269 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.243 0.718 0.133 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -0.104 -1.031 -2.358 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.155 -1.194 -3.552 0.00 0.00 -0.273 OA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.244 2.140 0.162 0.00 0.00 +0.067 A ATOM 12 C LIG 1 -3.305 2.818 0.779 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -3.300 4.212 0.849 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -2.231 4.935 0.323 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -1.160 4.267 -0.268 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.160 2.872 -0.345 0.00 0.00 +0.028 A ENDBRANCH 8 11 BRANCH 7 17 ATOM 17 N LIG 1 1.641 -0.927 -0.712 0.00 0.00 -0.299 N ATOM 18 H LIG 1 1.310 -0.064 -0.305 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 2.979 -1.236 -0.679 0.00 0.00 +0.245 C ATOM 20 O LIG 1 3.434 -2.323 -1.011 0.00 0.00 -0.270 OA BRANCH 19 21 ATOM 21 C LIG 1 3.878 -0.171 -0.158 0.00 0.00 +0.037 A ATOM 22 C LIG 1 3.596 1.189 -0.351 0.00 0.00 +0.025 A ATOM 23 C LIG 1 4.455 2.176 0.163 0.00 0.00 +0.056 A ATOM 24 C LIG 1 5.613 1.778 0.849 0.00 0.00 +0.012 A ATOM 25 C LIG 1 5.906 0.424 1.022 0.00 0.00 +0.001 A ATOM 26 C LIG 1 5.043 -0.548 0.517 0.00 0.00 +0.013 A BRANCH 23 27 ATOM 27 C LIG 1 4.158 3.639 -0.057 0.00 0.00 +0.417 C ATOM 28 F LIG 1 4.788 4.138 -1.155 0.00 0.00 -0.166 F ATOM 29 F LIG 1 4.538 4.424 0.988 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.830 3.886 -0.243 0.00 0.00 -0.166 F ENDBRANCH 23 27 ENDBRANCH 19 21 ENDBRANCH 7 17 BRANCH 6 31 ATOM 31 C LIG 1 0.493 -3.096 0.879 0.00 0.00 -0.001 C ATOM 32 C LIG 1 -0.078 -4.053 1.892 0.00 0.00 +0.004 C ATOM 33 C LIG 1 0.498 -2.735 2.344 0.00 0.00 +0.004 C ENDBRANCH 6 31 BRANCH 1 35 ATOM 34 C LIG 1 -2.858 0.074 -3.510 0.00 0.00 +0.025 C ATOM 35 C LIG 1 -1.643 0.786 -2.928 0.00 0.00 +0.112 C ENDBRANCH 1 35 BRANCH 4 36 ATOM 36 C LIG 1 -3.052 -2.195 1.999 0.00 0.00 +0.170 C BRANCH 36 37 ATOM 37 N LIG 1 -3.735 -3.201 1.147 0.00 0.00 -0.277 N ATOM 38 H LIG 1 -4.341 -2.731 0.465 0.00 0.00 +0.158 HD BRANCH 37 39 ATOM 39 C LIG 1 -4.149 -4.373 1.639 0.00 0.00 +0.167 C ATOM 40 N LIG 1 -4.509 -5.381 2.073 0.00 0.00 -0.174 NA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 4 36 TORSDOF 9