REMARK Name = BDB011966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.838 -0.868 0.695 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.129 -0.832 -0.498 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.080 -1.589 -1.457 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.317 -0.096 -0.364 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.303 1.337 -0.066 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.119 2.120 0.012 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.199 3.530 0.070 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -1.425 4.198 0.127 0.00 0.00 +0.057 A ATOM 9 C LIG 1 -2.587 3.433 0.133 0.00 0.00 +0.014 A ATOM 10 N LIG 1 1.173 1.533 0.178 0.00 0.00 -0.267 N ATOM 11 C LIG 1 2.298 2.033 -0.489 0.00 0.00 +0.222 C ATOM 12 O LIG 1 2.237 2.943 -1.318 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -2.520 2.036 0.044 0.00 0.00 +0.026 A ATOM 14 C LIG 1 1.202 0.504 1.222 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 2.922 -2.125 1.188 0.00 0.00 +0.230 C ATOM 16 N LIG 1 2.016 -1.634 0.278 0.00 0.00 -0.301 N ATOM 17 H LIG 1 2.038 -1.950 -0.690 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 2.792 -1.940 2.398 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 4.092 -2.922 0.570 0.00 0.00 +0.137 C ATOM 20 C LIG 1 3.706 -4.400 0.560 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 6.500 -3.279 0.839 0.00 0.00 +0.101 C ATOM 22 N LIG 1 5.311 -2.611 1.338 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 5.151 -2.849 2.319 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 8 24 ATOM 24 C LIG 1 -1.479 5.705 0.182 0.00 0.00 +0.417 C ATOM 25 F LIG 1 -2.622 6.175 0.757 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -1.422 6.273 -1.052 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -0.456 6.249 0.899 0.00 0.00 -0.166 F ENDBRANCH 8 24 BRANCH 4 28 ATOM 28 C LIG 1 -2.417 -0.619 -1.218 0.00 0.00 +0.150 C BRANCH 28 29 ATOM 29 C LIG 1 -3.806 -0.782 -0.605 0.00 0.00 -0.016 A ATOM 30 C LIG 1 -4.008 -1.392 0.677 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.329 -1.441 1.178 0.00 0.00 +0.071 A ATOM 32 C LIG 1 -5.573 -1.983 2.432 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -4.553 -2.516 3.218 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -3.256 -2.519 2.733 0.00 0.00 +0.001 A ATOM 35 N LIG 1 -6.383 -1.001 0.488 0.00 0.00 -0.255 NA ATOM 36 C LIG 1 -6.173 -0.525 -0.756 0.00 0.00 +0.115 A ATOM 37 C LIG 1 -2.991 -1.971 1.477 0.00 0.00 +0.010 A ATOM 38 C LIG 1 -4.932 -0.378 -1.375 0.00 0.00 -0.021 A BRANCH 38 39 ATOM 39 C LIG 1 -4.842 0.114 -2.809 0.00 0.00 +0.021 C ATOM 40 C LIG 1 -4.403 1.528 -3.114 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -5.820 1.125 -3.369 0.00 0.00 +0.009 C ENDBRANCH 38 39 ENDBRANCH 28 29 ENDBRANCH 4 28 BRANCH 11 42 ATOM 42 C LIG 1 3.630 1.379 -0.169 0.00 0.00 +0.124 C BRANCH 42 43 ATOM 43 C LIG 1 4.766 1.921 -1.029 0.00 0.00 +0.168 C BRANCH 43 44 ATOM 44 O LIG 1 5.899 1.045 -1.018 0.00 0.00 -0.382 OA ATOM 45 C LIG 1 6.592 1.028 0.223 0.00 0.00 +0.194 C ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 11 42 TORSDOF 10