REMARK Name = BDB034443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.315 -1.353 -0.530 0.00 0.00 +0.034 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.704 -1.700 -1.073 0.00 0.00 +0.103 C BRANCH 2 3 ATOM 3 N LIG 1 2.731 -0.937 -0.370 0.00 0.00 -0.343 N ATOM 4 H LIG 1 2.600 -0.950 0.640 0.00 0.00 +0.146 HD BRANCH 3 9 ATOM 5 C LIG 1 7.156 0.807 1.579 0.00 0.00 +0.057 A ATOM 6 C LIG 1 7.441 -0.012 0.475 0.00 0.00 +0.040 A ATOM 7 C LIG 1 6.446 -0.624 -0.274 0.00 0.00 +0.073 A ATOM 8 C LIG 1 5.091 -0.442 0.090 0.00 0.00 +0.021 A ATOM 9 C LIG 1 4.095 -1.103 -0.688 0.00 0.00 +0.038 A ATOM 10 C LIG 1 4.513 -1.816 -1.813 0.00 0.00 +0.043 A ATOM 11 C LIG 1 5.865 -1.923 -2.078 0.00 0.00 +0.113 A ATOM 12 C LIG 1 4.805 0.392 1.199 0.00 0.00 +0.012 A ATOM 13 N LIG 1 6.827 -1.360 -1.325 0.00 0.00 -0.255 NA ATOM 14 C LIG 1 5.822 1.002 1.936 0.00 0.00 +0.013 A BRANCH 5 16 ATOM 15 F LIG 1 8.798 0.576 3.291 0.00 0.00 -0.166 F ATOM 16 C LIG 1 8.276 1.432 2.369 0.00 0.00 +0.417 C ATOM 17 F LIG 1 9.321 1.830 1.592 0.00 0.00 -0.166 F ATOM 18 F LIG 1 7.889 2.538 3.065 0.00 0.00 -0.166 F ENDBRANCH 5 16 ENDBRANCH 3 9 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.088 0.090 -0.854 0.00 0.00 +0.083 C BRANCH 19 20 ATOM 20 N LIG 1 -1.412 0.439 -0.341 0.00 0.00 -0.312 NA ATOM 21 H LIG 1 -1.533 0.097 0.612 0.00 0.00 +0.122 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.504 -0.047 -1.181 0.00 0.00 +0.117 C BRANCH 22 23 ATOM 23 C LIG 1 -3.858 0.257 -0.551 0.00 0.00 -0.018 A ATOM 24 C LIG 1 -4.498 -0.725 0.278 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -5.783 -0.442 0.795 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -6.453 -1.383 1.597 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -5.871 -2.607 1.912 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -4.606 -2.904 1.431 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -6.396 0.783 0.514 0.00 0.00 +0.017 A ATOM 30 C LIG 1 -5.764 1.769 -0.252 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -6.415 2.995 -0.480 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -5.807 4.006 -1.220 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.536 3.805 -1.734 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -3.883 2.588 -1.517 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -3.932 -1.978 0.629 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -4.478 1.530 -0.785 0.00 0.00 -0.013 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 8