REMARK Name = BDB058925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.722 2.190 -0.132 0.00 0.00 -0.042 A ATOM 2 C LIG 1 -2.723 1.250 -0.440 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.780 1.574 -1.301 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -3.811 2.849 -1.887 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.826 3.790 -1.587 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.792 3.465 -0.711 0.00 0.00 +0.004 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 1.443 0.378 1.248 0.00 0.00 +0.076 C ATOM 8 C LIG 1 0.267 0.670 0.299 0.00 0.00 +0.021 C ATOM 9 C LIG 1 -0.574 1.855 0.806 0.00 0.00 +0.020 C ATOM 10 C LIG 1 -1.073 1.599 2.238 0.00 0.00 +0.008 C ATOM 11 C LIG 1 0.082 1.277 3.184 0.00 0.00 +0.001 C ATOM 12 C LIG 1 0.925 0.114 2.668 0.00 0.00 +0.013 C BRANCH 7 15 ATOM 13 C LIG 1 4.449 -1.952 0.581 0.00 0.00 +0.076 C ATOM 14 N LIG 1 3.603 -0.826 0.980 0.00 0.00 -0.298 N ATOM 15 C LIG 1 2.239 -0.830 0.758 0.00 0.00 +0.219 C ATOM 16 O LIG 1 1.673 -1.778 0.211 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 4.355 0.128 1.783 0.00 0.00 +0.108 C ATOM 18 C LIG 1 5.560 -0.660 2.270 0.00 0.00 +0.021 C ATOM 19 C LIG 1 5.847 -1.602 1.111 0.00 0.00 +0.024 C BRANCH 13 20 ATOM 20 C LIG 1 4.436 -2.319 -0.915 0.00 0.00 +0.022 C BRANCH 20 21 ATOM 21 C LIG 1 4.331 -1.186 -1.946 0.00 0.00 +0.002 C BRANCH 21 23 ATOM 22 C LIG 1 5.417 0.730 -3.165 0.00 0.00 +0.004 C ATOM 23 C LIG 1 5.522 -0.233 -1.991 0.00 0.00 -0.003 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 7 15 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 N LIG 1 -4.802 0.635 -1.633 0.00 0.00 -0.236 N ATOM 25 C LIG 1 -5.153 -0.567 -1.030 0.00 0.00 +0.062 A ATOM 26 C LIG 1 -6.048 -1.203 -1.875 0.00 0.00 +0.100 A ATOM 27 C LIG 1 -6.300 -0.244 -2.873 0.00 0.00 +0.150 A ATOM 28 N LIG 1 -5.605 0.879 -2.709 0.00 0.00 -0.174 NA BRANCH 25 29 ATOM 29 C LIG 1 -4.692 -1.138 0.348 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -4.834 -0.291 1.590 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -5.745 -1.458 1.383 0.00 0.00 +0.010 C ENDBRANCH 25 29 BRANCH 26 32 ATOM 32 C LIG 1 -6.623 -2.521 -1.759 0.00 0.00 +0.340 C ATOM 33 O LIG 1 -6.332 -3.378 -0.938 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 -7.564 -2.791 -2.692 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 -7.831 -3.708 -2.473 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 26 32 ENDBRANCH 3 24 TORSDOF 9