REMARK Name = BDB038411 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.000 -0.658 -0.014 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.370 -1.643 -0.814 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.990 -1.602 -1.097 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.260 -0.552 -0.550 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.199 -0.241 -0.659 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.345 0.988 0.118 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.877 1.393 0.662 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.165 2.343 1.366 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.884 0.415 0.231 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.238 0.393 0.512 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.604 1.626 0.292 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -2.756 1.109 -0.323 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -4.035 1.670 -0.128 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -4.136 2.816 0.672 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -3.003 3.364 1.268 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.752 2.769 1.083 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.237 1.059 -0.738 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -5.577 -0.308 -0.571 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -6.706 -0.838 -1.221 0.00 0.00 +0.031 A ATOM 20 C LIG 1 -7.523 -0.027 -2.012 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -7.208 1.323 -2.167 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -6.078 1.855 -1.541 0.00 0.00 +0.010 A BRANCH 18 23 ATOM 23 C LIG 1 -4.772 -1.226 0.234 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -4.599 -1.188 1.596 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -5.202 -0.297 2.550 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -3.734 -2.195 1.900 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -3.404 -2.835 0.804 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -4.068 -2.239 -0.240 0.00 0.00 -0.129 NA ENDBRANCH 18 23 BRANCH 20 29 ATOM 29 C LIG 1 -8.677 -0.578 -2.660 0.00 0.00 +0.099 C ATOM 30 N LIG 1 -9.620 -1.014 -3.177 0.00 0.00 -0.191 NA ENDBRANCH 20 29 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 1.332 -2.665 -1.936 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.213 -3.427 -2.642 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.471 -2.145 -2.854 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.602 -3.532 -1.185 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 5.489 -0.736 0.249 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.229 -0.444 -0.977 0.00 0.00 -0.310 NA ATOM 37 H LIG 1 6.079 0.537 -1.213 0.00 0.00 +0.122 HD BRANCH 36 38 ATOM 38 C LIG 1 7.669 -0.705 -0.847 0.00 0.00 +0.109 C BRANCH 38 39 ATOM 39 C LIG 1 8.445 0.268 0.061 0.00 0.00 +0.174 C BRANCH 39 41 ATOM 40 C LIG 1 8.893 -1.019 2.013 0.00 0.00 +0.194 C ATOM 41 O LIG 1 8.183 0.077 1.452 0.00 0.00 -0.382 OA ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 10