REMARK Name = BDB064936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.150 0.824 0.104 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.147 1.803 0.023 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.204 2.936 0.463 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.254 1.224 -0.748 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.462 1.803 -1.094 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.380 1.037 -1.826 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.025 -0.281 -2.209 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.788 -0.855 -1.854 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.912 -0.072 -1.110 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.550 -0.394 -0.586 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.285 -0.067 1.416 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.024 -0.121 0.769 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.103 0.946 0.768 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.470 2.113 1.438 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.702 2.210 2.084 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.590 1.137 2.073 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.306 -1.321 1.391 0.00 0.00 +0.080 C ATOM 18 C LIG 1 5.133 -1.636 2.667 0.00 0.00 +0.177 C ATOM 19 O LIG 1 4.698 -3.018 2.664 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 3.662 -2.701 1.709 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 5.127 -1.337 0.090 0.00 0.00 +0.248 C ATOM 22 F LIG 1 5.599 -2.605 -0.122 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 7.562 -1.485 -1.811 0.00 0.00 +0.151 C ATOM 24 N LIG 1 7.334 -0.479 -0.808 0.00 0.00 -0.318 N ATOM 25 C LIG 1 6.269 -0.377 0.052 0.00 0.00 +0.168 A ATOM 26 N LIG 1 6.457 0.684 0.813 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 7.642 1.275 0.451 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 8.158 0.565 -0.522 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.421 -2.259 -2.253 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -3.356 -2.875 -3.024 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.257 -2.307 -2.957 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.231 -3.064 -1.171 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.725 1.620 -2.227 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -6.883 1.484 -1.329 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -6.663 2.003 0.026 0.00 0.00 +0.099 C ATOM 36 C LIG 1 -6.588 0.603 0.475 0.00 0.00 +0.065 C ATOM 37 C LIG 1 -6.931 0.084 1.804 0.00 0.00 +0.258 C ATOM 38 F LIG 1 -7.695 -1.050 1.952 0.00 0.00 -0.205 F ATOM 39 F LIG 1 -7.234 0.929 2.845 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -5.527 -0.030 1.330 0.00 0.00 +0.091 C ATOM 41 C LIG 1 -7.111 0.129 -0.817 0.00 0.00 +0.099 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7