REMARK Name = BDB025964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.466 0.380 -0.988 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.016 -0.923 -1.242 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.800 -1.804 -1.880 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.258 -1.348 -0.867 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.127 -0.469 -0.216 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.689 0.849 0.052 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.592 1.262 -0.326 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.436 -0.839 0.180 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.345 -0.974 -0.980 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.725 -1.544 -0.555 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.492 -0.543 0.320 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.668 -2.840 0.176 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.296 -3.902 -0.614 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.284 -3.195 0.590 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.301 -4.278 1.678 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.488 -1.973 1.135 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 N LIG 1 5.276 0.557 -1.152 0.00 0.00 -0.295 N ATOM 18 C LIG 1 3.981 -0.126 -1.051 0.00 0.00 +0.143 C ATOM 19 C LIG 1 2.831 0.822 -1.369 0.00 0.00 -0.024 C ATOM 20 C LIG 1 3.016 2.021 -1.955 0.00 0.00 -0.020 C ATOM 21 C LIG 1 4.380 2.518 -2.330 0.00 0.00 +0.046 C ATOM 22 C LIG 1 5.452 1.422 -2.318 0.00 0.00 +0.112 C BRANCH 17 27 ATOM 23 C LIG 1 9.642 -2.825 -0.041 0.00 0.00 +0.047 C ATOM 24 C LIG 1 8.493 -1.921 -0.319 0.00 0.00 -0.014 A ATOM 25 C LIG 1 7.221 -2.171 0.135 0.00 0.00 +0.119 A ATOM 26 N LIG 1 6.161 -1.383 -0.131 0.00 0.00 -0.222 NA ATOM 27 C LIG 1 6.357 -0.292 -0.894 0.00 0.00 +0.218 A ATOM 28 N LIG 1 7.567 0.016 -1.394 0.00 0.00 -0.222 NA ATOM 29 C LIG 1 8.600 -0.799 -1.103 0.00 0.00 +0.119 A ENDBRANCH 17 27 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -1.623 1.667 0.721 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.488 1.165 0.920 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.486 2.973 1.113 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.517 3.706 0.970 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.694 3.475 1.824 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.943 3.815 1.153 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.982 4.262 1.887 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.862 4.409 3.360 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.803 4.802 4.035 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.641 4.079 3.894 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.552 4.194 4.897 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.577 3.627 3.153 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -4.019 3.685 -0.336 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.960 2.387 -0.726 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.023 4.345 -0.971 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -5.186 4.175 -0.835 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6