REMARK Name = BDB017443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.641 3.089 -1.498 0.00 0.00 +0.095 A ATOM 2 C LIG 1 -0.087 4.309 -1.483 0.00 0.00 +0.150 A ATOM 3 N LIG 1 -0.573 4.601 -0.280 0.00 0.00 -0.155 NA ATOM 4 N LIG 1 -0.161 3.582 0.494 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.581 2.655 -0.185 0.00 0.00 +0.123 A ENDROOT BRANCH 1 8 ATOM 6 N LIG 1 2.082 1.371 -2.330 0.00 0.00 -0.307 N ATOM 7 H LIG 1 2.361 1.251 -1.367 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 1.277 2.447 -2.638 0.00 0.00 +0.249 C ATOM 9 O LIG 1 1.112 2.838 -3.791 0.00 0.00 -0.270 OA BRANCH 6 10 ATOM 10 C LIG 1 2.917 0.764 -3.338 0.00 0.00 +0.142 C BRANCH 10 14 ATOM 11 C LIG 1 4.843 -2.103 -1.715 0.00 0.00 +0.155 A ATOM 12 C LIG 1 4.448 -0.823 -2.123 0.00 0.00 +0.169 A ATOM 13 F LIG 1 5.156 0.246 -1.722 0.00 0.00 -0.201 F ATOM 14 C LIG 1 3.325 -0.622 -2.933 0.00 0.00 +0.008 A ATOM 15 C LIG 1 2.570 -1.735 -3.321 0.00 0.00 +0.008 A ATOM 16 C LIG 1 2.952 -3.017 -2.923 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.085 -3.202 -2.124 0.00 0.00 +0.048 A BRANCH 11 19 ATOM 18 C LIG 1 6.430 -3.444 -0.550 0.00 0.00 +0.277 C ATOM 19 O LIG 1 5.959 -2.156 -0.925 0.00 0.00 -0.492 OA ENDBRANCH 11 19 ENDBRANCH 10 14 ENDBRANCH 6 10 ENDBRANCH 1 8 BRANCH 2 20 ATOM 20 N LIG 1 -0.278 5.097 -2.550 0.00 0.00 -0.341 N ATOM 21 H LIG 1 -1.033 5.769 -2.496 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -0.128 4.708 -3.479 0.00 0.00 +0.144 HD ENDBRANCH 2 20 BRANCH 4 23 ATOM 23 C LIG 1 -0.477 3.578 1.917 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 C LIG 1 -1.371 2.422 2.295 0.00 0.00 -0.026 A ATOM 25 C LIG 1 -0.904 1.401 3.135 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -1.736 0.333 3.483 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -3.050 0.266 3.002 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.516 1.289 2.165 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -2.687 2.356 1.816 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -3.952 -0.891 3.368 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 -4.170 -1.810 2.252 0.00 0.00 -0.311 N ATOM 32 C LIG 1 -5.366 -1.721 1.539 0.00 0.00 +0.252 A ATOM 33 O LIG 1 -6.276 -0.934 1.784 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -5.519 -2.671 0.402 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -4.541 -3.538 0.109 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -3.330 -3.562 0.886 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -3.178 -2.717 1.913 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 9