REMARK Name = BDB025639 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.655 0.212 -0.298 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.250 -1.075 -0.233 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.405 -2.178 -0.117 0.00 0.00 +0.064 A ATOM 4 C LIG 1 0.979 -2.009 -0.048 0.00 0.00 +0.133 A ATOM 5 F LIG 1 1.733 -3.115 0.057 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.587 -0.746 -0.090 0.00 0.00 +0.022 A ATOM 7 C LIG 1 0.736 0.366 -0.217 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -2.657 -1.174 -0.265 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.267 -2.249 -1.081 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.666 -3.519 -0.272 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.368 -4.528 -1.189 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.420 -3.242 0.983 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.792 -2.791 0.742 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.617 -2.284 1.795 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.238 -1.996 3.167 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.296 -0.955 1.058 0.00 0.00 +0.123 C ENDBRANCH 2 8 BRANCH 6 17 ATOM 17 C LIG 1 3.046 -0.584 -0.013 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.858 -1.315 0.831 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.202 -1.181 0.922 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.797 -0.274 0.132 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.100 0.489 -0.725 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.759 0.319 -0.776 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.178 -0.095 0.228 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.895 -1.272 0.742 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.390 -0.952 0.895 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.957 -0.470 -0.334 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.287 0.735 -0.740 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.787 0.497 -0.973 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 1 30 ATOM 29 C LIG 1 -1.271 2.637 -0.544 0.00 0.00 +0.248 C ATOM 30 N LIG 1 -1.547 1.290 -0.495 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.508 0.972 -0.582 0.00 0.00 +0.155 HD ATOM 32 O LIG 1 -0.184 3.166 -0.345 0.00 0.00 -0.270 OA BRANCH 29 39 ATOM 33 C LIG 1 -3.619 7.011 0.131 0.00 0.00 +0.047 C ATOM 34 C LIG 1 -3.557 5.655 -0.504 0.00 0.00 -0.015 A ATOM 35 C LIG 1 -4.600 5.209 -1.319 0.00 0.00 +0.126 A ATOM 36 F LIG 1 -5.654 6.004 -1.552 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -4.571 3.947 -1.908 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -3.490 3.096 -1.672 0.00 0.00 +0.016 A ATOM 39 C LIG 1 -2.446 3.511 -0.833 0.00 0.00 +0.037 A ATOM 40 C LIG 1 -2.480 4.792 -0.260 0.00 0.00 +0.019 A ENDBRANCH 29 39 ENDBRANCH 1 30 TORSDOF 5