REMARK Name = BDB054317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.379 -1.299 1.389 0.00 0.00 -0.046 A ATOM 2 C LIG 1 1.129 -0.424 2.449 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.159 0.073 2.668 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.219 -0.299 1.840 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.980 -1.176 0.784 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.310 -1.673 0.562 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.764 -1.835 1.130 0.00 0.00 +0.050 C BRANCH 7 10 ATOM 8 N LIG 1 5.350 -0.491 -0.402 0.00 0.00 -0.257 N ATOM 9 C LIG 1 4.174 0.227 0.111 0.00 0.00 +0.202 C ATOM 10 C LIG 1 3.396 -1.122 -0.058 0.00 0.00 +0.111 C ATOM 11 C LIG 1 4.758 -1.708 -0.475 0.00 0.00 +0.226 C ATOM 12 O LIG 1 5.164 -2.808 -0.769 0.00 0.00 -0.275 OA BRANCH 8 16 ATOM 13 C LIG 1 9.156 0.924 -1.528 0.00 0.00 +0.120 A ATOM 14 C LIG 1 8.843 -0.430 -1.637 0.00 0.00 +0.047 A ATOM 15 C LIG 1 7.579 -0.906 -1.272 0.00 0.00 +0.027 A ATOM 16 C LIG 1 6.607 -0.028 -0.787 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.921 1.332 -0.684 0.00 0.00 +0.027 A ATOM 18 C LIG 1 8.188 1.806 -1.051 0.00 0.00 +0.047 A BRANCH 13 20 ATOM 19 C LIG 1 10.797 2.621 -1.815 0.00 0.00 +0.277 C ATOM 20 O LIG 1 10.425 1.252 -1.916 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 8 16 BRANCH 9 21 ATOM 21 C LIG 1 4.323 0.833 1.546 0.00 0.00 +0.327 C ATOM 22 O LIG 1 3.587 1.678 2.046 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 O LIG 1 5.386 0.358 2.256 0.00 0.00 -0.479 OA ATOM 24 H LIG 1 5.952 -0.252 1.738 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 9 21 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 O LIG 1 -2.424 0.258 2.168 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.549 -0.104 1.364 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 -4.776 0.621 1.909 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 -6.016 0.233 1.193 0.00 0.00 +0.086 A ATOM 29 C LIG 1 -7.062 -0.564 1.607 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -7.385 -1.313 2.833 0.00 0.00 +0.088 C ATOM 31 O LIG 1 -7.972 -0.622 0.589 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 -7.425 0.147 -0.405 0.00 0.00 +0.228 A ATOM 33 N LIG 1 -6.255 0.673 -0.090 0.00 0.00 -0.214 NA BRANCH 32 34 ATOM 34 C LIG 1 -8.187 0.269 -1.645 0.00 0.00 +0.037 A ATOM 35 C LIG 1 -7.678 1.046 -2.697 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -8.383 1.178 -3.897 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.608 0.534 -4.059 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -10.129 -0.240 -3.024 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -9.423 -0.372 -1.824 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 11