REMARK Name = BDB025726 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.666 -0.303 0.458 0.00 0.00 +0.019 A ATOM 2 C LIG 1 2.164 -1.605 0.328 0.00 0.00 +0.133 A ATOM 3 F LIG 1 3.001 -2.655 0.304 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.798 -1.868 0.219 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.131 -0.826 0.239 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.356 0.498 0.386 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.731 0.748 0.482 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.517 -1.032 0.092 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.124 -2.146 0.847 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.615 -2.328 0.446 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.292 -3.295 1.426 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.812 -2.623 -0.996 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.312 -3.942 -1.346 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -2.715 -2.131 -1.868 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -1.678 -3.193 -2.275 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.004 -0.867 -1.302 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.892 0.499 0.773 0.00 0.00 +0.120 A ATOM 18 C LIG 1 5.988 1.091 1.654 0.00 0.00 +0.046 A ATOM 19 C LIG 1 4.617 0.831 1.555 0.00 0.00 +0.012 A ATOM 20 C LIG 1 4.112 -0.031 0.568 0.00 0.00 -0.015 A ATOM 21 C LIG 1 5.037 -0.618 -0.312 0.00 0.00 +0.012 A ATOM 22 C LIG 1 6.411 -0.359 -0.213 0.00 0.00 +0.046 A BRANCH 17 24 ATOM 23 C LIG 1 9.159 0.262 0.101 0.00 0.00 +0.277 C ATOM 24 O LIG 1 8.201 0.837 0.980 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 6 25 ATOM 25 N LIG 1 -0.627 1.509 0.456 0.00 0.00 -0.280 N ATOM 26 H LIG 1 -1.569 1.127 0.407 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 -0.454 2.857 0.636 0.00 0.00 +0.250 C ATOM 28 O LIG 1 0.592 3.474 0.783 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -1.752 3.585 0.678 0.00 0.00 +0.065 A ATOM 30 C LIG 1 -2.508 3.941 -0.515 0.00 0.00 +0.073 A ATOM 31 C LIG 1 -3.676 4.600 -0.379 0.00 0.00 +0.083 A ATOM 32 C LIG 1 -4.189 4.962 0.967 0.00 0.00 +0.249 A ATOM 33 O LIG 1 -5.254 5.549 1.102 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 -3.397 4.593 2.026 0.00 0.00 -0.328 N ATOM 35 H LIG 1 -3.739 4.854 2.944 0.00 0.00 +0.168 HD ATOM 36 C LIG 1 -2.204 3.926 1.895 0.00 0.00 +0.099 A BRANCH 30 37 ATOM 37 C LIG 1 -1.946 3.582 -1.855 0.00 0.00 +0.418 C ATOM 38 F LIG 1 -2.704 4.064 -2.876 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -1.893 2.237 -2.030 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.696 4.064 -2.045 0.00 0.00 -0.166 F ENDBRANCH 30 37 ENDBRANCH 27 29 ENDBRANCH 6 25 TORSDOF 6