REMARK Name = BDB026238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.517 -0.460 -0.486 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.447 0.560 -0.271 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.816 0.265 -0.277 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.271 -1.042 -0.514 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.308 -2.032 -0.746 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.689 -3.292 -1.007 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.059 -1.754 -0.732 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.761 -1.703 2.507 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.150 -1.678 1.097 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.155 -1.976 0.030 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.760 -3.300 0.224 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.512 -1.867 -1.314 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.534 -2.007 -2.456 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.757 -0.522 -1.539 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.879 -0.115 -0.429 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.495 -0.282 0.902 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.709 -1.351 -0.522 0.00 0.00 +0.023 A ATOM 18 C LIG 1 4.255 -2.338 0.312 0.00 0.00 +0.167 A ATOM 19 F LIG 1 3.461 -3.010 1.162 0.00 0.00 -0.202 F ATOM 20 C LIG 1 5.617 -2.635 0.301 0.00 0.00 +0.171 A ATOM 21 F LIG 1 6.072 -3.591 1.129 0.00 0.00 -0.202 F ATOM 22 C LIG 1 6.483 -1.948 -0.547 0.00 0.00 +0.074 A ATOM 23 C LIG 1 5.959 -0.953 -1.383 0.00 0.00 +0.017 A ATOM 24 C LIG 1 4.590 -0.657 -1.369 0.00 0.00 +0.012 A BRANCH 22 25 ATOM 25 C LIG 1 7.942 -2.220 -0.607 0.00 0.00 +0.244 C ATOM 26 O LIG 1 8.672 -1.603 -1.374 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 8.458 -3.178 0.216 0.00 0.00 -0.325 N ATOM 28 H LIG 1 7.898 -3.715 0.868 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 9.453 -3.357 0.171 0.00 0.00 +0.145 HD ENDBRANCH 22 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.069 1.861 -0.076 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.087 1.874 -0.119 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.629 3.039 0.023 0.00 0.00 +0.249 C ATOM 33 O LIG 1 1.838 3.211 -0.047 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.227 4.237 0.174 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -1.011 4.459 1.320 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -1.804 5.620 1.369 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -1.784 6.531 0.317 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -2.544 7.631 0.388 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -0.986 6.321 -0.800 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -0.200 5.173 -0.873 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -1.020 3.493 2.473 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.558 4.026 3.607 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.769 2.389 2.203 0.00 0.00 -0.166 F ATOM 44 F LIG 1 0.212 3.047 2.829 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6