REMARK Name = BDB008808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.848 -1.071 -0.035 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.486 -1.121 -0.328 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.015 -2.005 -1.283 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.335 -1.908 -1.434 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.736 -0.981 -0.585 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -0.786 -2.860 -1.967 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.074 -2.783 -1.613 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.654 -0.494 0.134 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.622 -1.947 -0.699 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.140 -0.604 -0.398 0.00 0.00 +0.019 A ATOM 11 C LIG 1 4.091 -1.614 -0.168 0.00 0.00 +0.037 A ATOM 12 C LIG 1 5.447 -1.304 0.023 0.00 0.00 +0.047 A ATOM 13 C LIG 1 5.844 0.039 -0.033 0.00 0.00 +0.026 A ATOM 14 C LIG 1 4.908 1.046 -0.285 0.00 0.00 +0.003 A ATOM 15 C LIG 1 3.564 0.726 -0.473 0.00 0.00 +0.011 A BRANCH 12 16 ATOM 16 N LIG 1 6.405 -2.340 0.268 0.00 0.00 -0.323 N ATOM 17 C LIG 1 7.759 -2.175 0.506 0.00 0.00 +0.091 A ATOM 18 C LIG 1 8.346 -3.406 0.705 0.00 0.00 +0.019 A ATOM 19 C LIG 1 7.332 -4.373 0.585 0.00 0.00 +0.019 A ATOM 20 C LIG 1 6.159 -3.701 0.319 0.00 0.00 +0.091 A ENDBRANCH 12 16 ENDBRANCH 5 10 BRANCH 1 21 ATOM 21 N LIG 1 -2.389 -0.194 0.891 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -1.884 0.683 0.922 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -4.590 -1.211 1.478 0.00 0.00 +0.028 C ATOM 24 C LIG 1 -3.839 0.029 1.004 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -4.433 0.714 -0.232 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -5.880 1.279 -0.115 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -6.020 1.029 -1.630 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -4.952 -0.072 -1.472 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 7 29 ATOM 29 C LIG 1 -3.003 -3.734 -2.321 0.00 0.00 +0.375 C ATOM 30 O LIG 1 -2.707 -4.549 -3.180 0.00 0.00 -0.242 OA BRANCH 29 31 ATOM 31 O LIG 1 -4.293 -3.628 -1.921 0.00 0.00 -0.475 OA ATOM 32 H LIG 1 -4.758 -4.301 -2.460 0.00 0.00 +0.296 HD ENDBRANCH 29 31 ENDBRANCH 7 29 BRANCH 8 33 ATOM 33 C LIG 1 0.734 0.386 1.293 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 C LIG 1 0.322 1.821 1.031 0.00 0.00 -0.028 A ATOM 35 C LIG 1 0.099 2.354 -0.248 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -0.290 3.688 -0.410 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.453 4.527 0.701 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -0.232 3.999 1.979 0.00 0.00 +0.013 A ATOM 39 C LIG 1 0.155 2.667 2.141 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -0.896 5.959 0.524 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -0.442 6.783 1.509 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.252 6.082 0.527 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.471 6.509 -0.647 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 10