REMARK Name = BDB010409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.067 -0.688 0.544 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.847 -1.351 0.441 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.678 -2.586 1.046 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.561 -3.103 0.812 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.181 -2.197 0.097 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.621 -3.212 1.767 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.750 -2.493 1.846 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.384 -1.091 -0.121 0.00 0.00 -0.307 N ATOM 9 N LIG 1 3.013 -1.298 1.285 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.835 -3.113 2.640 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.620 -4.301 3.228 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.777 -4.851 3.198 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.748 -4.627 3.872 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.934 -5.642 4.523 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.665 -3.625 3.674 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 5.021 -2.643 2.854 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.439 -2.277 -0.407 0.00 0.00 -0.289 N ATOM 18 C LIG 1 -2.588 -3.238 -1.561 0.00 0.00 +0.180 C ATOM 19 C LIG 1 -3.870 -4.031 -1.256 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -4.620 -3.156 -0.271 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -3.492 -2.591 0.575 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 -2.670 -2.534 -2.927 0.00 0.00 +0.408 C ATOM 23 F LIG 1 -2.829 -3.434 -3.927 0.00 0.00 -0.169 F ATOM 24 F LIG 1 -1.536 -1.841 -3.195 0.00 0.00 -0.169 F ATOM 25 F LIG 1 -3.704 -1.665 -2.995 0.00 0.00 -0.169 F ENDBRANCH 18 22 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 2.321 0.534 -0.071 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.948 0.544 -1.011 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 3.841 1.800 1.375 0.00 0.00 +0.028 C ATOM 29 C LIG 1 3.680 1.080 0.030 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 3.979 2.089 -1.091 0.00 0.00 +0.009 C ATOM 31 C LIG 1 2.949 3.204 -1.432 0.00 0.00 +0.005 C ATOM 32 C LIG 1 3.409 3.078 -2.900 0.00 0.00 +0.001 C ATOM 33 C LIG 1 3.845 1.634 -2.573 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 -0.793 0.127 -0.801 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.008 1.333 0.136 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.193 1.095 1.093 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.756 2.410 1.616 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.356 3.251 0.475 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.365 4.731 0.861 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.636 3.022 -0.866 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.173 2.635 -0.676 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8