REMARK Name = BDB048628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.006 2.924 -1.705 0.00 0.00 +0.287 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.069 2.417 -0.788 0.00 0.00 +0.121 A ATOM 3 N LIG 1 1.317 3.038 0.372 0.00 0.00 -0.079 NA ATOM 4 O LIG 1 2.339 2.322 0.968 0.00 0.00 -0.354 OA ATOM 5 C LIG 1 2.705 1.277 0.169 0.00 0.00 +0.168 A ATOM 6 C LIG 1 1.923 1.303 -0.963 0.00 0.00 +0.079 A BRANCH 5 7 ATOM 7 C LIG 1 3.774 0.416 0.665 0.00 0.00 +0.020 A ATOM 8 C LIG 1 4.435 0.691 1.871 0.00 0.00 +0.012 A ATOM 9 C LIG 1 5.460 -0.140 2.339 0.00 0.00 +0.013 A ATOM 10 C LIG 1 5.845 -1.274 1.614 0.00 0.00 +0.055 A ATOM 11 C LIG 1 5.195 -1.549 0.403 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.171 -0.716 -0.062 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 6.965 -2.159 2.105 0.00 0.00 +0.417 C ATOM 14 F LIG 1 7.077 -2.178 3.462 0.00 0.00 -0.166 F ATOM 15 F LIG 1 6.821 -3.460 1.727 0.00 0.00 -0.166 F ATOM 16 F LIG 1 8.180 -1.765 1.634 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 5 7 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 O LIG 1 -0.627 1.890 -2.473 0.00 0.00 -0.486 OA BRANCH 17 22 ATOM 18 C LIG 1 -4.833 -1.395 -0.686 0.00 0.00 -0.022 A ATOM 19 C LIG 1 -3.745 -0.473 -0.945 0.00 0.00 -0.007 A ATOM 20 C LIG 1 -3.321 -0.534 -2.274 0.00 0.00 +0.023 A ATOM 21 C LIG 1 -2.272 0.275 -2.754 0.00 0.00 +0.061 A ATOM 22 C LIG 1 -1.634 1.169 -1.889 0.00 0.00 +0.122 A ATOM 23 C LIG 1 -2.036 1.246 -0.563 0.00 0.00 +0.046 A ATOM 24 S LIG 1 -4.229 -1.684 -3.174 0.00 0.00 -0.096 S ATOM 25 C LIG 1 -3.079 0.439 -0.088 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -5.178 -2.099 -1.823 0.00 0.00 +0.050 A BRANCH 18 27 ATOM 27 C LIG 1 -5.505 -1.577 0.647 0.00 0.00 +0.156 C BRANCH 27 29 ATOM 28 O LIG 1 -6.988 0.332 0.179 0.00 0.00 -0.251 OA ATOM 29 C LIG 1 -6.542 -0.516 0.932 0.00 0.00 +0.309 C BRANCH 29 30 ATOM 30 O LIG 1 -7.003 -0.596 2.200 0.00 0.00 -0.480 OA ATOM 31 H LIG 1 -7.666 0.126 2.252 0.00 0.00 +0.295 HD ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 18 27 ENDBRANCH 17 22 ENDBRANCH 1 17 TORSDOF 8