REMARK Name = BDB064987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.052 -0.904 1.104 0.00 0.00 +0.065 A ATOM 2 C LIG 1 -0.239 -0.396 1.652 0.00 0.00 +0.266 A ATOM 3 O LIG 1 -0.250 0.563 2.426 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -1.387 -1.074 1.238 0.00 0.00 -0.267 N ATOM 5 C LIG 1 -1.290 -2.182 0.399 0.00 0.00 +0.152 A ATOM 6 C LIG 1 -2.563 -2.864 0.026 0.00 0.00 +0.098 A ATOM 7 C LIG 1 -3.727 -2.382 0.497 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -3.777 -1.212 1.345 0.00 0.00 -0.016 A ATOM 9 N LIG 1 -0.162 -2.634 -0.051 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -2.623 -0.622 1.689 0.00 0.00 +0.101 A ATOM 11 C LIG 1 0.980 -1.980 0.308 0.00 0.00 +0.127 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 4.511 0.672 0.687 0.00 0.00 -0.033 A ATOM 13 C LIG 1 3.250 0.088 0.421 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.352 -0.290 1.435 0.00 0.00 -0.011 A ATOM 15 C LIG 1 2.719 -0.071 2.764 0.00 0.00 +0.009 A ATOM 16 C LIG 1 3.950 0.503 3.069 0.00 0.00 +0.001 A ATOM 17 C LIG 1 4.829 0.865 2.046 0.00 0.00 +0.004 A BRANCH 12 18 ATOM 18 C LIG 1 5.501 1.072 -0.518 0.00 0.00 +0.056 C ATOM 19 C LIG 1 6.658 2.094 -0.253 0.00 0.00 +0.022 C ATOM 20 C LIG 1 6.278 2.864 -1.534 0.00 0.00 -0.012 C ATOM 21 C LIG 1 7.178 2.659 -2.742 0.00 0.00 +0.007 C ATOM 22 C LIG 1 4.927 2.123 -1.534 0.00 0.00 +0.022 C BRANCH 18 25 ATOM 23 C LIG 1 7.271 -1.359 0.668 0.00 0.00 +0.151 C ATOM 24 N LIG 1 6.769 -1.258 -0.674 0.00 0.00 -0.320 N ATOM 25 C LIG 1 6.016 -0.257 -1.224 0.00 0.00 +0.144 A ATOM 26 N LIG 1 5.729 -0.581 -2.469 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 6.318 -1.792 -2.743 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 6.934 -2.187 -1.655 0.00 0.00 +0.224 A ENDBRANCH 18 25 ENDBRANCH 12 18 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 -2.442 -4.056 -0.855 0.00 0.00 +0.421 C ATOM 30 F LIG 1 -1.715 -5.056 -0.294 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.895 -3.771 -2.063 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.665 -4.599 -1.124 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 -5.117 -0.730 1.856 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -5.717 0.316 1.022 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -6.136 -0.149 -0.313 0.00 0.00 +0.091 C ATOM 36 C LIG 1 -7.044 0.899 -1.000 0.00 0.00 -0.019 C ATOM 37 C LIG 1 -8.408 1.016 -0.247 0.00 0.00 +0.012 C ATOM 38 C LIG 1 -7.607 1.890 0.761 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.147 0.709 -2.501 0.00 0.00 +0.012 C ATOM 40 C LIG 1 -6.799 2.363 -0.490 0.00 0.00 +0.012 C ATOM 41 C LIG 1 -6.805 1.010 1.731 0.00 0.00 +0.088 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6