REMARK Name = BDB034433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.002 0.664 1.704 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.243 0.502 1.018 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.401 0.257 1.789 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -4.621 0.071 1.149 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -4.767 0.133 -0.247 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -3.626 0.397 -1.007 0.00 0.00 +0.009 A ATOM 7 N LIG 1 -3.388 0.201 3.128 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -2.217 0.417 3.753 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.387 0.582 -0.387 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -1.024 0.660 3.099 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.080 -0.064 -0.883 0.00 0.00 -0.017 A ATOM 12 C LIG 1 -6.253 -1.013 -1.904 0.00 0.00 +0.021 A ATOM 13 C LIG 1 -7.501 -1.218 -2.515 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -8.594 -0.439 -2.105 0.00 0.00 +0.024 A ATOM 15 C LIG 1 -8.452 0.524 -1.094 0.00 0.00 +0.056 A ATOM 16 C LIG 1 -7.195 0.693 -0.488 0.00 0.00 +0.021 A BRANCH 13 17 ATOM 17 C LIG 1 -7.649 -2.236 -3.621 0.00 0.00 +0.417 C ATOM 18 F LIG 1 -6.849 -3.325 -3.453 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -7.331 -1.722 -4.840 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -8.917 -2.720 -3.736 0.00 0.00 -0.166 F ENDBRANCH 13 17 BRANCH 15 21 ATOM 21 C LIG 1 -9.635 1.344 -0.636 0.00 0.00 +0.417 C ATOM 22 F LIG 1 -10.284 0.770 0.413 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -9.292 2.597 -0.230 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -10.573 1.513 -1.610 0.00 0.00 -0.166 F ENDBRANCH 15 21 ENDBRANCH 5 11 BRANCH 1 25 ATOM 25 N LIG 1 0.177 0.929 0.975 0.00 0.00 -0.343 N ATOM 26 H LIG 1 0.191 0.383 0.116 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 1.476 0.930 1.646 0.00 0.00 +0.103 C BRANCH 27 28 ATOM 28 C LIG 1 2.574 1.212 0.620 0.00 0.00 +0.034 C BRANCH 28 29 ATOM 29 C LIG 1 3.965 1.345 1.249 0.00 0.00 +0.083 C BRANCH 29 30 ATOM 30 N LIG 1 4.477 0.168 1.942 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 3.871 -0.100 2.713 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 4.737 -1.007 1.106 0.00 0.00 +0.120 C BRANCH 32 35 ATOM 33 C LIG 1 8.327 -0.974 -0.262 0.00 0.00 +0.162 A ATOM 34 C LIG 1 7.225 -1.130 0.595 0.00 0.00 +0.163 A ATOM 35 C LIG 1 5.917 -0.858 0.177 0.00 0.00 +0.011 A ATOM 36 C LIG 1 5.728 -0.431 -1.146 0.00 0.00 +0.009 A ATOM 37 C LIG 1 6.814 -0.275 -2.010 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.113 -0.543 -1.570 0.00 0.00 +0.049 A BRANCH 33 40 ATOM 39 C LIG 1 10.686 -1.111 -0.531 0.00 0.00 +0.277 C ATOM 40 O LIG 1 9.542 -1.278 0.299 0.00 0.00 -0.491 OA ENDBRANCH 33 40 BRANCH 34 41 ATOM 41 O LIG 1 7.447 -1.578 1.874 0.00 0.00 -0.503 OA ATOM 42 H LIG 1 8.418 -1.653 1.948 0.00 0.00 +0.292 HD ENDBRANCH 34 41 ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 12