REMARK Name = BDB058278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.430 1.012 0.983 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -1.664 1.395 0.619 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -2.573 1.686 1.574 0.00 0.00 +0.139 A ATOM 4 C LIG 1 -2.258 1.601 2.913 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -0.973 1.198 3.197 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -0.056 0.900 2.260 0.00 0.00 -0.222 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.863 2.054 1.179 0.00 0.00 -0.306 N ATOM 8 C LIG 1 -4.740 0.874 0.960 0.00 0.00 +0.144 C ATOM 9 C LIG 1 -5.631 1.301 -0.162 0.00 0.00 -0.003 A ATOM 10 C LIG 1 -5.172 2.502 -0.707 0.00 0.00 -0.024 A ATOM 11 C LIG 1 -5.830 3.106 -1.766 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -6.978 2.492 -2.268 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -7.441 1.284 -1.721 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -6.749 0.662 -0.676 0.00 0.00 +0.056 A ATOM 15 C LIG 1 -3.928 2.948 -0.003 0.00 0.00 +0.142 C BRANCH 14 16 ATOM 16 N LIG 1 -7.196 -0.560 -0.061 0.00 0.00 -0.210 N ATOM 17 C LIG 1 -8.412 -0.403 0.777 0.00 0.00 +0.157 C BRANCH 16 18 ATOM 18 S LIG 1 -7.249 -1.949 -1.063 0.00 0.00 +0.042 S ATOM 19 O LIG 1 -8.047 -1.665 -2.237 0.00 0.00 -0.155 OA ATOM 20 O LIG 1 -7.572 -3.079 -0.215 0.00 0.00 -0.155 OA ATOM 21 C LIG 1 -5.543 -2.120 -1.549 0.00 0.00 +0.218 C ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 3 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.213 1.933 4.001 0.00 0.00 +0.422 C ATOM 23 F LIG 1 -4.287 1.095 4.048 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -2.647 1.847 5.243 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -3.713 3.197 3.931 0.00 0.00 -0.166 F ENDBRANCH 4 22 BRANCH 1 26 ATOM 26 N LIG 1 0.435 0.739 -0.072 0.00 0.00 -0.284 N ATOM 27 H LIG 1 -0.050 0.895 -0.943 0.00 0.00 +0.155 HD BRANCH 26 31 ATOM 28 C LIG 1 4.493 -0.544 -0.473 0.00 0.00 +0.030 A ATOM 29 C LIG 1 3.674 -0.254 -1.573 0.00 0.00 +0.025 A ATOM 30 C LIG 1 2.343 0.165 -1.421 0.00 0.00 +0.025 A ATOM 31 C LIG 1 1.764 0.317 -0.157 0.00 0.00 +0.034 A ATOM 32 C LIG 1 2.570 0.038 0.943 0.00 0.00 +0.025 A ATOM 33 C LIG 1 3.903 -0.381 0.787 0.00 0.00 +0.025 A BRANCH 28 39 ATOM 34 C LIG 1 10.964 -1.596 -0.614 0.00 0.00 +0.109 C ATOM 35 C LIG 1 9.835 -2.346 -1.275 0.00 0.00 +0.213 C ATOM 36 N LIG 1 8.549 -1.945 -0.961 0.00 0.00 -0.299 N ATOM 37 C LIG 1 8.218 -0.879 -0.009 0.00 0.00 +0.126 C ATOM 38 C LIG 1 6.761 -0.931 0.490 0.00 0.00 +0.124 C ATOM 39 N LIG 1 5.809 -0.950 -0.631 0.00 0.00 -0.327 N ATOM 40 C LIG 1 6.235 -1.639 -1.866 0.00 0.00 +0.124 C ATOM 41 C LIG 1 7.415 -2.597 -1.619 0.00 0.00 +0.126 C ATOM 42 O LIG 1 10.072 -3.271 -2.050 0.00 0.00 -0.276 OA ENDBRANCH 28 39 ENDBRANCH 26 31 ENDBRANCH 1 26 TORSDOF 7