REMARK Name = BDB026232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.581 -0.254 0.680 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.142 -1.574 0.855 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.025 -2.545 1.138 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.199 -1.940 0.727 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.168 -0.987 0.410 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.748 0.357 0.239 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.398 0.708 0.371 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.526 -1.310 0.223 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.148 -2.242 1.184 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.593 -2.603 0.737 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -6.309 -3.342 1.875 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.657 -3.249 -0.598 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.071 -4.642 -0.647 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.515 -2.917 -1.486 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.403 -3.980 -1.548 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.907 -1.513 -1.199 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 4.668 0.826 1.066 0.00 0.00 +0.218 A ATOM 18 N LIG 1 3.935 1.375 0.085 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 2.636 1.015 -0.018 0.00 0.00 +0.124 A ATOM 20 C LIG 1 1.997 0.118 0.814 0.00 0.00 +0.021 A ATOM 21 C LIG 1 2.837 -0.387 1.786 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.141 -0.056 1.930 0.00 0.00 -0.222 NA BRANCH 17 26 ATOM 23 N LIG 1 7.991 -0.420 -0.307 0.00 0.00 -0.297 NA ATOM 24 C LIG 1 7.083 0.577 -0.947 0.00 0.00 +0.103 C ATOM 25 C LIG 1 6.628 1.731 -0.016 0.00 0.00 +0.123 C ATOM 26 N LIG 1 6.006 1.200 1.208 0.00 0.00 -0.297 N ATOM 27 C LIG 1 6.849 0.210 1.899 0.00 0.00 +0.123 C ATOM 28 C LIG 1 7.298 -0.907 0.922 0.00 0.00 +0.103 C BRANCH 23 30 ATOM 29 C LIG 1 10.265 -0.956 0.595 0.00 0.00 +0.024 C ATOM 30 C LIG 1 9.354 0.106 -0.046 0.00 0.00 +0.051 C ATOM 31 C LIG 1 10.043 0.576 -1.340 0.00 0.00 +0.024 C ENDBRANCH 23 30 ENDBRANCH 17 26 ENDBRANCH 1 20 BRANCH 6 32 ATOM 32 N LIG 1 -2.773 1.290 -0.028 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.696 0.861 -0.018 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.658 2.635 -0.274 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -1.640 3.310 -0.319 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.982 3.276 -0.494 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -4.659 3.276 -1.779 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -5.858 3.878 -1.882 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -6.496 4.540 -0.712 0.00 0.00 +0.252 A ATOM 40 O LIG 1 -7.595 5.064 -0.854 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -5.769 4.503 0.476 0.00 0.00 -0.318 N ATOM 42 C LIG 1 -6.312 5.148 1.663 0.00 0.00 +0.152 C ATOM 43 C LIG 1 -4.534 3.882 0.568 0.00 0.00 +0.102 A BRANCH 37 44 ATOM 44 C LIG 1 -3.990 2.617 -2.945 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -4.710 2.744 -4.090 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.835 1.284 -2.742 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -2.764 3.130 -3.201 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 6 32 TORSDOF 7