REMARK Name = BDB059768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.105 -1.467 -1.560 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.144 -0.126 -1.249 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -0.864 0.433 -0.486 0.00 0.00 +0.258 A ATOM 4 O LIG 1 -0.917 1.627 -0.192 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -1.927 -0.482 0.001 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.851 -1.771 -0.375 0.00 0.00 +0.055 A ATOM 7 N LIG 1 -0.840 -2.255 -1.161 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -2.885 -2.829 0.012 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -2.279 -3.859 0.969 0.00 0.00 +0.014 C ATOM 10 C LIG 1 -3.473 -3.521 -1.223 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 1.203 -2.054 -2.448 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 1.175 -3.577 -2.607 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 1.639 -5.812 -1.539 0.00 0.00 +0.004 C ATOM 14 C LIG 1 1.683 -4.303 -1.359 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 1.193 0.781 -1.728 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 2.443 0.769 -0.870 0.00 0.00 -0.028 A ATOM 17 C LIG 1 3.693 0.483 -1.440 0.00 0.00 +0.006 A ATOM 18 C LIG 1 4.853 0.486 -0.658 0.00 0.00 +0.009 A ATOM 19 C LIG 1 4.798 0.793 0.708 0.00 0.00 -0.017 A ATOM 20 C LIG 1 3.551 1.095 1.272 0.00 0.00 +0.009 A ATOM 21 C LIG 1 2.390 1.089 0.493 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 6.015 0.788 1.535 0.00 0.00 -0.007 A ATOM 23 C LIG 1 7.029 1.762 1.436 0.00 0.00 +0.028 A ATOM 24 C LIG 1 8.187 1.672 2.229 0.00 0.00 +0.012 A ATOM 25 C LIG 1 8.345 0.616 3.126 0.00 0.00 +0.001 A ATOM 26 C LIG 1 7.353 -0.352 3.237 0.00 0.00 +0.001 A ATOM 27 C LIG 1 6.201 -0.266 2.451 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 6.911 2.912 0.528 0.00 0.00 +0.183 A ATOM 29 N LIG 1 7.955 3.275 -0.229 0.00 0.00 -0.271 N ATOM 30 H LIG 1 8.854 2.838 -0.330 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 7.549 4.320 -0.966 0.00 0.00 +0.440 A ATOM 32 O LIG 1 8.218 4.899 -1.806 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 6.256 4.620 -0.623 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 5.871 3.658 0.365 0.00 0.00 -0.054 NA ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 5 35 ATOM 35 C LIG 1 -2.970 0.148 0.888 0.00 0.00 +0.141 C BRANCH 35 36 ATOM 36 C LIG 1 -4.088 0.827 0.182 0.00 0.00 +0.232 A ATOM 37 O LIG 1 -4.764 0.093 -0.751 0.00 0.00 -0.338 OA ATOM 38 N LIG 1 -5.768 0.920 -1.256 0.00 0.00 -0.061 NA ATOM 39 C LIG 1 -5.611 2.055 -0.559 0.00 0.00 +0.176 A ATOM 40 N LIG 1 -4.571 2.039 0.340 0.00 0.00 -0.195 NA BRANCH 39 41 ATOM 41 C LIG 1 -6.460 3.253 -0.775 0.00 0.00 +0.114 C BRANCH 41 42 ATOM 42 C LIG 1 -7.565 3.179 0.254 0.00 0.00 -0.040 A ATOM 43 C LIG 1 -7.388 3.740 1.530 0.00 0.00 +0.007 A ATOM 44 C LIG 1 -8.407 3.668 2.481 0.00 0.00 +0.038 A ATOM 45 C LIG 1 -9.601 3.034 2.160 0.00 0.00 +0.123 A ATOM 46 F LIG 1 -10.578 2.964 3.074 0.00 0.00 -0.205 F ATOM 47 C LIG 1 -9.796 2.467 0.906 0.00 0.00 +0.038 A ATOM 48 C LIG 1 -8.779 2.538 -0.047 0.00 0.00 +0.007 A ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 12