REMARK Name = BDB026095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.944 0.665 0.221 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.520 1.967 -0.090 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.416 2.959 -0.215 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.826 2.293 -0.262 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.810 1.313 -0.124 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.409 -0.006 0.194 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.055 -0.319 0.358 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.189 1.588 -0.256 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.583 2.193 -1.542 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.098 2.528 -1.526 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.508 3.051 -2.906 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.480 3.521 -0.486 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.875 3.337 -0.075 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.577 3.516 0.691 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.644 4.731 0.591 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.788 2.202 0.952 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.103 -0.297 0.640 0.00 0.00 +0.121 A ATOM 18 N LIG 1 4.694 0.560 -0.317 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 3.369 0.842 -0.423 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.369 0.328 0.397 0.00 0.00 +0.003 A ATOM 21 C LIG 1 2.814 -0.534 1.400 0.00 0.00 +0.013 A ATOM 22 C LIG 1 4.174 -0.841 1.523 0.00 0.00 +0.044 A BRANCH 17 29 ATOM 23 C LIG 1 7.082 -2.920 -1.299 0.00 0.00 +0.039 C ATOM 24 C LIG 1 7.833 -2.528 -0.027 0.00 0.00 +0.133 C ATOM 25 O LIG 1 8.938 -1.683 -0.390 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 8.799 -0.313 0.030 0.00 0.00 +0.133 C ATOM 27 C LIG 1 9.763 0.518 -0.805 0.00 0.00 +0.039 C ATOM 28 C LIG 1 7.354 0.197 -0.119 0.00 0.00 +0.137 C ATOM 29 N LIG 1 6.458 -0.580 0.753 0.00 0.00 -0.310 N ATOM 30 C LIG 1 6.895 -1.951 1.058 0.00 0.00 +0.137 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.456 -0.944 0.310 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.360 -0.531 0.088 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.380 -2.278 0.621 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.373 -2.939 0.849 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.716 -2.950 0.643 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -3.991 -4.136 -0.165 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -5.200 -4.726 -0.084 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -6.246 -4.184 0.818 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -7.352 -4.701 0.898 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.889 -3.075 1.547 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -6.602 -2.718 2.174 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -4.658 -2.472 1.474 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.912 -4.640 -1.081 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -3.332 -5.727 -1.791 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -2.599 -3.696 -2.010 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6