REMARK Name = BDB043008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.888 1.799 1.191 0.00 0.00 +0.281 A ATOM 2 C LIG 1 -1.578 1.501 0.790 0.00 0.00 +0.191 A ATOM 3 N LIG 1 -1.002 2.167 -0.237 0.00 0.00 -0.173 NA ATOM 4 C LIG 1 -1.762 3.094 -0.836 0.00 0.00 +0.338 A ATOM 5 N LIG 1 -3.008 3.446 -0.448 0.00 0.00 -0.089 NA ATOM 6 N LIG 1 -3.579 2.794 0.594 0.00 0.00 -0.103 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -0.807 0.530 1.473 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.316 -0.521 0.543 0.00 0.00 +0.116 C ATOM 9 C LIG 1 1.197 -0.578 0.760 0.00 0.00 +0.013 C ATOM 10 C LIG 1 2.040 0.004 -0.412 0.00 0.00 +0.094 C ATOM 11 N LIG 1 2.199 -1.375 -0.901 0.00 0.00 -0.298 NA ATOM 12 C LIG 1 1.922 -1.911 0.438 0.00 0.00 +0.094 C ATOM 13 C LIG 1 1.416 0.050 2.126 0.00 0.00 +0.030 C ATOM 14 C LIG 1 0.357 1.147 2.134 0.00 0.00 +0.107 C BRANCH 11 15 ATOM 15 C LIG 1 3.499 -1.722 -1.502 0.00 0.00 +0.059 C BRANCH 15 16 ATOM 16 C LIG 1 3.768 -0.825 -2.763 0.00 0.00 -0.000 C ATOM 17 C LIG 1 2.617 -0.913 -3.780 0.00 0.00 +0.009 C ATOM 18 C LIG 1 5.073 -1.179 -3.489 0.00 0.00 +0.009 C ENDBRANCH 15 16 BRANCH 15 19 ATOM 19 C LIG 1 4.746 -1.901 -0.587 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 5.275 -0.654 0.125 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 6.646 -0.926 0.764 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 7.116 0.189 1.603 0.00 0.00 -0.308 NA ATOM 23 C LIG 1 8.294 -0.226 2.371 0.00 0.00 +0.104 C ATOM 24 C LIG 1 7.442 1.377 0.811 0.00 0.00 +0.104 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 4 25 ATOM 25 O LIG 1 -1.155 3.746 -1.890 0.00 0.00 -0.465 OA ATOM 26 C LIG 1 -2.080 4.477 -2.682 0.00 0.00 +0.280 C ENDBRANCH 4 25 BRANCH 1 27 ATOM 27 O LIG 1 -3.542 1.223 2.255 0.00 0.00 -0.434 OA BRANCH 27 29 ATOM 28 C LIG 1 -3.988 -1.029 1.367 0.00 0.00 +0.082 A ATOM 29 C LIG 1 -3.538 -0.146 2.357 0.00 0.00 +0.143 A ATOM 30 C LIG 1 -3.114 -0.659 3.591 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -3.082 -2.037 3.806 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -3.485 -2.900 2.793 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -3.443 -4.222 3.000 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -3.940 -2.412 1.575 0.00 0.00 +0.055 A BRANCH 28 36 ATOM 35 N LIG 1 -5.843 -0.226 -0.058 0.00 0.00 -0.295 N ATOM 36 C LIG 1 -4.496 -0.576 0.062 0.00 0.00 +0.250 C ATOM 37 O LIG 1 -3.687 -0.593 -0.862 0.00 0.00 -0.270 OA BRANCH 35 38 ATOM 38 C LIG 1 -6.373 0.193 -1.371 0.00 0.00 +0.070 C ATOM 39 C LIG 1 -5.723 1.475 -1.894 0.00 0.00 +0.028 C ATOM 40 C LIG 1 -6.310 -0.933 -2.407 0.00 0.00 +0.028 C ENDBRANCH 35 38 BRANCH 35 42 ATOM 41 C LIG 1 -7.091 1.175 1.574 0.00 0.00 +0.024 C ATOM 42 C LIG 1 -6.791 -0.227 1.062 0.00 0.00 +0.105 C ENDBRANCH 35 42 ENDBRANCH 28 36 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 13