REMARK Name = BDB065265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.200 0.583 0.345 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.128 0.231 0.501 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.122 -1.159 0.463 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.322 -1.873 0.603 0.00 0.00 +0.040 A ATOM 5 C LIG 1 3.519 -1.168 0.787 0.00 0.00 +0.004 A ATOM 6 C LIG 1 3.504 0.232 0.808 0.00 0.00 +0.012 A ATOM 7 N LIG 1 -0.142 -1.639 0.275 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.314 0.959 0.664 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.932 -0.586 0.190 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 4.778 -1.884 0.948 0.00 0.00 +0.091 A ATOM 11 N LIG 1 5.061 -2.797 1.936 0.00 0.00 -0.247 N ATOM 12 C LIG 1 4.227 -3.237 3.024 0.00 0.00 +0.175 C ATOM 13 N LIG 1 6.311 -3.278 1.826 0.00 0.00 -0.065 NA ATOM 14 N LIG 1 6.873 -2.696 0.778 0.00 0.00 -0.134 NA ATOM 15 C LIG 1 5.958 -1.842 0.222 0.00 0.00 +0.088 A ATOM 16 C LIG 1 6.302 -1.057 -0.982 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -2.420 -0.638 -0.058 0.00 0.00 +0.151 C ATOM 18 N LIG 1 -2.827 -1.937 -0.575 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -3.303 -2.748 0.474 0.00 0.00 +0.255 C ATOM 20 O LIG 1 -3.675 -3.913 0.435 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 -3.313 -1.918 1.743 0.00 0.00 +0.254 C ATOM 22 F LIG 1 -2.260 -2.173 2.565 0.00 0.00 -0.236 F ATOM 23 C LIG 1 -3.219 -0.495 1.231 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 -2.657 -2.332 -1.935 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -3.111 -3.574 -2.405 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -2.945 -3.938 -3.742 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -3.398 -5.129 -4.159 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -2.327 -3.080 -4.637 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -2.172 -3.431 -5.920 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -1.866 -1.847 -4.205 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -2.032 -1.476 -2.864 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -1.495 4.656 0.348 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -0.378 4.276 -0.626 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -0.297 2.764 -0.868 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.742 1.940 0.353 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -0.502 2.684 1.673 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -1.257 4.021 1.728 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -3.850 4.955 0.169 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -2.725 4.167 -0.204 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5