REMARK Name = BDB058646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.528 -1.925 -0.557 0.00 0.00 +0.121 A ATOM 2 N LIG 1 3.873 -0.743 -0.492 0.00 0.00 -0.232 NA ATOM 3 C LIG 1 2.543 -0.725 -0.287 0.00 0.00 +0.075 A ATOM 4 C LIG 1 1.787 -1.900 -0.124 0.00 0.00 +0.002 A ATOM 5 C LIG 1 0.398 -1.839 0.087 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.245 -0.606 0.136 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.501 0.583 -0.021 0.00 0.00 +0.053 A ATOM 8 C LIG 1 2.467 -3.116 -0.176 0.00 0.00 +0.013 A ATOM 9 C LIG 1 1.885 0.495 -0.230 0.00 0.00 +0.053 A ATOM 10 C LIG 1 3.842 -3.127 -0.388 0.00 0.00 +0.044 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -0.186 1.828 0.060 0.00 0.00 -0.328 N ATOM 12 C LIG 1 -0.055 2.658 -1.157 0.00 0.00 +0.105 C ATOM 13 C LIG 1 0.698 3.959 -0.890 0.00 0.00 +0.019 C ATOM 14 C LIG 1 0.053 4.770 0.234 0.00 0.00 +0.003 C ATOM 15 C LIG 1 -0.545 3.889 1.333 0.00 0.00 +0.019 C ATOM 16 C LIG 1 0.089 2.502 1.345 0.00 0.00 +0.105 C ENDBRANCH 7 11 BRANCH 6 17 ATOM 17 N LIG 1 -1.629 -0.427 0.332 0.00 0.00 -0.280 N ATOM 18 H LIG 1 -1.880 0.556 0.294 0.00 0.00 +0.155 HD ATOM 19 C LIG 1 -2.613 -1.381 0.485 0.00 0.00 +0.253 C ATOM 20 O LIG 1 -2.419 -2.591 0.455 0.00 0.00 -0.270 OA BRANCH 19 21 ATOM 21 C LIG 1 -3.940 -0.813 0.697 0.00 0.00 +0.101 A ATOM 22 C LIG 1 -5.155 -1.454 0.512 0.00 0.00 +0.168 A ATOM 23 N LIG 1 -6.147 -0.525 0.855 0.00 0.00 -0.221 N ATOM 24 C LIG 1 -7.495 -0.864 0.782 0.00 0.00 +0.116 A ATOM 25 C LIG 1 -7.868 -2.085 0.380 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -6.747 -2.998 0.028 0.00 0.00 +0.114 A ATOM 27 N LIG 1 -5.620 0.662 1.234 0.00 0.00 -0.173 NA ATOM 28 N LIG 1 -5.482 -2.715 0.082 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -4.304 0.477 1.147 0.00 0.00 +0.150 A ENDBRANCH 19 21 ENDBRANCH 6 17 BRANCH 1 31 ATOM 30 C LIG 1 6.529 -0.615 -0.663 0.00 0.00 +0.130 C ATOM 31 N LIG 1 5.925 -1.944 -0.764 0.00 0.00 -0.321 N ATOM 32 C LIG 1 6.304 -2.681 -1.969 0.00 0.00 +0.130 C ENDBRANCH 1 31 TORSDOF 4