REMARK Name = BDB026293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.098 -0.275 0.410 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.674 -1.592 0.191 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.570 -2.586 0.084 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.675 -1.912 0.064 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.645 -0.908 0.151 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.230 0.428 0.371 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.127 0.735 0.499 0.00 0.00 +0.036 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 6.820 0.672 -0.712 0.00 0.00 +0.403 C ATOM 9 N LIG 1 5.570 0.916 -0.158 0.00 0.00 -0.267 N ATOM 10 C LIG 1 4.423 0.783 -1.050 0.00 0.00 +0.116 C ATOM 11 C LIG 1 3.045 1.103 -0.458 0.00 0.00 +0.054 C ATOM 12 C LIG 1 2.533 0.076 0.533 0.00 0.00 -0.040 C ATOM 13 C LIG 1 3.266 -0.523 1.492 0.00 0.00 -0.021 C ATOM 14 C LIG 1 4.709 -0.279 1.848 0.00 0.00 +0.046 C ATOM 15 C LIG 1 5.347 0.991 1.284 0.00 0.00 +0.115 C ATOM 16 O LIG 1 7.007 0.484 -1.909 0.00 0.00 -0.226 OA BRANCH 8 17 ATOM 17 O LIG 1 7.814 0.658 0.217 0.00 0.00 -0.448 OA BRANCH 17 19 ATOM 18 C LIG 1 9.365 -1.100 -0.391 0.00 0.00 +0.052 C ATOM 19 C LIG 1 9.144 0.404 -0.272 0.00 0.00 +0.172 C ATOM 20 C LIG 1 10.114 1.012 0.735 0.00 0.00 +0.052 C ENDBRANCH 17 19 ENDBRANCH 8 17 ENDBRANCH 1 12 BRANCH 5 21 ATOM 21 N LIG 1 -3.032 -1.176 0.030 0.00 0.00 -0.325 N ATOM 22 C LIG 1 -3.409 -1.543 -1.353 0.00 0.00 +0.123 C ATOM 23 C LIG 1 -4.877 -2.043 -1.431 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -5.870 -0.912 -1.136 0.00 0.00 +0.026 C ATOM 25 N LIG 1 -5.198 -3.183 -0.527 0.00 0.00 -0.297 NA ATOM 26 C LIG 1 -5.468 -4.393 -1.306 0.00 0.00 +0.105 C ATOM 27 C LIG 1 -4.142 -3.407 0.497 0.00 0.00 +0.071 C ATOM 28 C LIG 1 -4.689 -4.240 1.664 0.00 0.00 +0.026 C ATOM 29 C LIG 1 -3.566 -2.081 1.075 0.00 0.00 +0.123 C ENDBRANCH 5 21 BRANCH 6 30 ATOM 30 N LIG 1 -2.267 1.381 0.451 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.183 0.961 0.301 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.171 2.722 0.724 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.159 3.361 0.981 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.503 3.393 0.772 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -4.373 3.582 -0.384 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -5.556 4.207 -0.221 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -5.975 4.703 1.115 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.053 5.261 1.271 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.081 4.495 2.134 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -5.356 4.847 3.045 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.872 3.863 1.975 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.918 3.113 -1.732 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.934 1.756 -1.798 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.647 3.503 -2.003 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 7