REMARK Name = BDB014313 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.607 1.129 -0.817 0.00 0.00 +0.147 A ATOM 2 C LIG 1 0.285 1.589 -0.824 0.00 0.00 +0.109 A ATOM 3 C LIG 1 -0.046 2.705 -1.583 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -1.425 2.953 -1.435 0.00 0.00 +0.056 A ATOM 5 C LIG 1 -1.940 2.009 -0.567 0.00 0.00 +0.052 A ATOM 6 N LIG 1 0.841 3.402 -2.316 0.00 0.00 -0.220 NA ATOM 7 C LIG 1 2.091 2.925 -2.224 0.00 0.00 +0.241 A ATOM 8 N LIG 1 -0.882 1.191 -0.183 0.00 0.00 -0.331 N ATOM 9 N LIG 1 2.502 1.848 -1.521 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.309 1.900 -0.067 0.00 0.00 -0.001 A ATOM 11 C LIG 1 -3.791 2.868 0.834 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -5.107 2.755 1.318 0.00 0.00 +0.021 A ATOM 13 C LIG 1 -5.886 1.691 0.880 0.00 0.00 +0.135 A ATOM 14 O LIG 1 -7.121 1.743 1.451 0.00 0.00 -0.463 OA ATOM 15 C LIG 1 -7.139 2.839 2.253 0.00 0.00 +0.196 A ATOM 16 C LIG 1 -5.451 0.721 -0.019 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -5.930 3.494 2.208 0.00 0.00 +0.049 A ATOM 18 C LIG 1 -4.138 0.851 -0.490 0.00 0.00 +0.013 A ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 2.014 -0.007 -0.127 0.00 0.00 -0.324 N ATOM 20 H LIG 1 1.323 -0.746 -0.170 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 3.440 -1.290 -1.659 0.00 0.00 +0.028 C ATOM 22 C LIG 1 3.377 -0.502 -0.347 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 3.744 -1.439 0.821 0.00 0.00 +0.009 C ATOM 24 C LIG 1 3.862 -0.776 2.223 0.00 0.00 +0.005 C ATOM 25 C LIG 1 5.379 -0.666 1.988 0.00 0.00 +0.001 C ATOM 26 C LIG 1 5.245 -1.817 0.975 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 27 ATOM 27 C LIG 1 3.137 3.677 -3.006 0.00 0.00 +0.375 C ATOM 28 O LIG 1 2.966 4.674 -3.689 0.00 0.00 -0.242 OA BRANCH 27 29 ATOM 29 O LIG 1 4.378 3.141 -2.906 0.00 0.00 -0.475 OA ATOM 30 H LIG 1 4.931 3.733 -3.455 0.00 0.00 +0.296 HD ENDBRANCH 27 29 ENDBRANCH 7 27 BRANCH 8 31 ATOM 31 C LIG 1 -0.967 0.160 0.853 0.00 0.00 +0.157 C BRANCH 31 32 ATOM 32 C LIG 1 -1.010 -1.264 0.335 0.00 0.00 -0.028 A ATOM 33 C LIG 1 -0.789 -2.304 1.253 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -0.805 -3.640 0.845 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.042 -3.972 -0.494 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -1.282 -2.940 -1.411 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -1.267 -1.603 -1.001 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -1.082 -5.416 -0.934 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -0.695 -5.590 -2.228 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.330 -5.951 -0.840 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.271 -6.221 -0.193 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 9