REMARK Name = BDB007725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.081 -1.165 -1.720 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -0.706 -1.011 -0.501 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.360 -1.547 0.288 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.614 -0.891 -2.790 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.443 -2.078 -0.580 0.00 0.00 -0.033 A ATOM 6 C LIG 1 2.141 -1.549 -0.581 0.00 0.00 +0.018 A ATOM 7 C LIG 1 1.298 -1.726 -1.687 0.00 0.00 +0.037 A ATOM 8 C LIG 1 1.761 -2.425 -2.806 0.00 0.00 +0.013 A ATOM 9 C LIG 1 3.045 -2.968 -2.810 0.00 0.00 +0.001 A ATOM 10 C LIG 1 3.877 -2.800 -1.702 0.00 0.00 +0.005 A BRANCH 5 11 ATOM 11 C LIG 1 4.358 -1.873 0.610 0.00 0.00 +0.119 C BRANCH 11 16 ATOM 12 C LIG 1 7.630 1.414 1.548 0.00 0.00 +0.105 C ATOM 13 N LIG 1 6.678 1.795 0.499 0.00 0.00 -0.298 NA ATOM 14 C LIG 1 5.279 1.815 1.041 0.00 0.00 +0.096 C ATOM 15 C LIG 1 4.379 0.604 0.655 0.00 0.00 +0.106 C ATOM 16 N LIG 1 5.147 -0.641 0.631 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 6.229 -0.583 -0.363 0.00 0.00 +0.100 C ATOM 18 C LIG 1 6.763 0.851 -0.634 0.00 0.00 +0.100 C BRANCH 14 19 ATOM 19 C LIG 1 4.606 3.128 0.589 0.00 0.00 +0.176 C BRANCH 19 20 ATOM 20 O LIG 1 5.434 4.240 0.931 0.00 0.00 -0.393 OA ATOM 21 H LIG 1 6.339 3.934 0.711 0.00 0.00 +0.209 HD ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 11 16 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 C LIG 1 -2.114 -0.654 -0.433 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -2.510 -0.283 0.998 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -2.324 -1.438 1.839 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.163 -1.938 1.750 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.965 0.213 1.144 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.937 -0.885 0.931 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.542 -0.837 -0.420 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.597 0.232 -0.617 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.284 0.783 0.479 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.277 1.748 0.265 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.603 2.148 -1.030 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.936 1.592 -2.119 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.912 0.386 1.885 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.941 0.636 -1.916 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.026 -0.868 1.928 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 10