REMARK Name = BDB019978 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.336 1.090 -0.368 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -0.372 -0.071 0.408 0.00 0.00 +0.143 A ATOM 3 F LIG 1 0.767 -0.619 0.863 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.587 -0.690 0.743 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -2.781 -0.126 0.269 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -2.777 1.026 -0.534 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -1.546 1.633 -0.831 0.00 0.00 +0.021 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -1.616 -1.916 1.551 0.00 0.00 +0.015 A ATOM 9 C LIG 1 -1.513 -1.926 2.954 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -1.538 -3.091 3.677 0.00 0.00 -0.250 NA ATOM 11 C LIG 1 -1.670 -4.255 3.009 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -1.786 -4.337 1.637 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -1.759 -3.155 0.904 0.00 0.00 +0.012 A BRANCH 9 14 ATOM 14 C LIG 1 -1.384 -0.618 3.727 0.00 0.00 +0.435 C ATOM 15 F LIG 1 -2.404 0.255 3.469 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -0.236 0.065 3.437 0.00 0.00 -0.164 F ATOM 17 F LIG 1 -1.378 -0.769 5.084 0.00 0.00 -0.164 F ENDBRANCH 9 14 ENDBRANCH 4 8 BRANCH 1 20 ATOM 18 N LIG 1 2.106 1.247 -0.272 0.00 0.00 -0.304 N ATOM 19 H LIG 1 2.080 0.429 0.323 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 0.930 1.791 -0.727 0.00 0.00 +0.247 C ATOM 21 O LIG 1 0.880 2.812 -1.406 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.390 1.884 -0.477 0.00 0.00 +0.107 C BRANCH 22 29 ATOM 23 C LIG 1 6.141 -1.993 1.332 0.00 0.00 +0.047 C ATOM 24 C LIG 1 5.817 -1.022 0.238 0.00 0.00 -0.015 A ATOM 25 C LIG 1 6.481 -1.093 -0.987 0.00 0.00 +0.126 A ATOM 26 F LIG 1 7.432 -2.019 -1.179 0.00 0.00 -0.205 F ATOM 27 C LIG 1 6.175 -0.221 -2.025 0.00 0.00 +0.039 A ATOM 28 C LIG 1 5.180 0.741 -1.850 0.00 0.00 +0.008 A ATOM 29 C LIG 1 4.483 0.837 -0.633 0.00 0.00 -0.027 A ATOM 30 C LIG 1 4.809 -0.061 0.403 0.00 0.00 +0.011 A ENDBRANCH 22 29 BRANCH 22 31 ATOM 31 C LIG 1 3.686 2.796 0.690 0.00 0.00 +0.014 C ATOM 32 C LIG 1 3.216 4.232 0.676 0.00 0.00 +0.006 C ATOM 33 C LIG 1 4.681 3.925 0.552 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 6 34 ATOM 34 C LIG 1 -4.064 1.653 -1.037 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N LIG 1 -5.059 0.667 -1.404 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -4.976 -0.203 -2.500 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -4.027 -0.362 -3.350 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 -3.256 0.264 -3.122 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 -6.194 -0.889 -2.485 0.00 0.00 -0.320 N ATOM 40 C LIG 1 -6.597 -1.797 -3.529 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -6.996 -0.408 -1.463 0.00 0.00 +0.106 A ATOM 42 C LIG 1 -6.307 0.533 -0.802 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8