REMARK Name = BDB063429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.211 -0.330 0.762 0.00 0.00 +0.039 A ATOM 2 C LIG 1 3.064 0.097 1.788 0.00 0.00 +0.062 A ATOM 3 C LIG 1 4.295 0.696 1.503 0.00 0.00 +0.139 A ATOM 4 F LIG 1 5.050 1.093 2.542 0.00 0.00 -0.205 F ATOM 5 C LIG 1 4.739 0.888 0.194 0.00 0.00 +0.088 A ATOM 6 C LIG 1 3.893 0.442 -0.825 0.00 0.00 +0.139 A ATOM 7 F LIG 1 4.242 0.572 -2.113 0.00 0.00 -0.205 F ATOM 8 C LIG 1 2.656 -0.155 -0.550 0.00 0.00 +0.062 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 6.019 1.536 -0.105 0.00 0.00 +0.145 A ATOM 10 N LIG 1 6.857 2.069 0.854 0.00 0.00 -0.338 N ATOM 11 H LIG 1 6.676 2.059 1.849 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 7.937 2.645 0.240 0.00 0.00 +0.067 A ATOM 13 C LIG 1 7.731 2.413 -1.115 0.00 0.00 +0.102 A ATOM 14 C LIG 1 8.675 2.888 -2.044 0.00 0.00 +0.064 A ATOM 15 C LIG 1 9.795 3.587 -1.558 0.00 0.00 +0.015 A ATOM 16 C LIG 1 9.973 3.801 -0.189 0.00 0.00 +0.003 A ATOM 17 C LIG 1 9.043 3.332 0.745 0.00 0.00 +0.028 A ATOM 18 N LIG 1 6.550 1.718 -1.301 0.00 0.00 -0.227 NA BRANCH 14 19 ATOM 19 C LIG 1 8.516 2.687 -3.505 0.00 0.00 +0.244 C ATOM 20 O LIG 1 9.327 3.147 -4.302 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 7.434 1.963 -3.927 0.00 0.00 -0.325 N ATOM 22 H LIG 1 6.754 1.590 -3.264 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 7.276 1.852 -4.918 0.00 0.00 +0.145 HD ENDBRANCH 14 19 ENDBRANCH 5 9 BRANCH 1 24 ATOM 24 N LIG 1 0.987 -0.910 1.104 0.00 0.00 -0.283 N ATOM 25 H LIG 1 0.749 -0.959 2.085 0.00 0.00 +0.155 HD BRANCH 24 28 ATOM 26 C LIG 1 -2.298 -2.121 0.486 0.00 0.00 +0.130 A ATOM 27 N LIG 1 -1.165 -1.733 1.111 0.00 0.00 -0.199 NA ATOM 28 C LIG 1 -0.117 -1.342 0.369 0.00 0.00 +0.221 A ATOM 29 N LIG 1 -0.117 -1.341 -0.970 0.00 0.00 -0.223 NA ATOM 30 C LIG 1 -1.238 -1.760 -1.578 0.00 0.00 +0.118 A ATOM 31 C LIG 1 -2.358 -2.163 -0.896 0.00 0.00 +0.064 A BRANCH 26 32 ATOM 32 N LIG 1 -3.437 -2.526 1.242 0.00 0.00 -0.288 N ATOM 33 C LIG 1 -3.215 -2.443 2.695 0.00 0.00 +0.137 C BRANCH 32 41 ATOM 34 C LIG 1 -10.046 -1.752 0.114 0.00 0.00 +0.066 C ATOM 35 C LIG 1 -8.669 -1.204 0.048 0.00 0.00 +0.044 A ATOM 36 N LIG 1 -8.384 0.053 -0.441 0.00 0.00 -0.270 N ATOM 37 C LIG 1 -9.333 1.008 -0.974 0.00 0.00 +0.172 C ATOM 38 N LIG 1 -7.076 0.383 -0.413 0.00 0.00 -0.171 NA ATOM 39 C LIG 1 -6.459 -0.692 0.105 0.00 0.00 +0.095 A ATOM 40 C LIG 1 -5.093 -0.903 0.363 0.00 0.00 +0.053 A ATOM 41 C LIG 1 -4.789 -2.175 0.920 0.00 0.00 +0.037 A ATOM 42 C LIG 1 -5.816 -3.155 1.188 0.00 0.00 +0.024 A ATOM 43 C LIG 1 -7.193 -2.966 0.943 0.00 0.00 +0.013 A ATOM 44 C LIG 1 -7.440 -1.710 0.399 0.00 0.00 +0.023 A ENDBRANCH 32 41 ENDBRANCH 26 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 6