REMARK Name = BDB059765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.748 1.185 -1.185 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -1.362 0.171 -2.035 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -2.089 -1.003 -2.081 0.00 0.00 +0.258 A ATOM 4 O LIG 1 -1.840 -1.929 -2.852 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -3.221 -1.131 -1.130 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.487 -0.074 -0.343 0.00 0.00 +0.055 A ATOM 7 N LIG 1 -2.766 1.091 -0.394 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -4.588 -0.069 0.719 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -5.669 0.962 0.383 0.00 0.00 +0.014 C ATOM 10 C LIG 1 -4.014 0.185 2.117 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 -0.940 2.482 -1.174 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 -1.450 3.531 -0.182 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 0.778 4.721 0.190 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -0.674 4.848 -0.247 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 -0.218 0.277 -2.945 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 1.118 0.043 -2.267 0.00 0.00 -0.028 A ATOM 17 C LIG 1 2.187 0.921 -2.498 0.00 0.00 +0.006 A ATOM 18 C LIG 1 3.423 0.719 -1.878 0.00 0.00 +0.009 A ATOM 19 C LIG 1 3.622 -0.366 -1.012 0.00 0.00 -0.017 A ATOM 20 C LIG 1 2.566 -1.266 -0.816 0.00 0.00 +0.009 A ATOM 21 C LIG 1 1.331 -1.068 -1.440 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 4.904 -0.549 -0.318 0.00 0.00 -0.007 A ATOM 23 C LIG 1 5.077 -0.377 1.075 0.00 0.00 +0.028 A ATOM 24 C LIG 1 6.327 -0.645 1.662 0.00 0.00 +0.012 A ATOM 25 C LIG 1 7.410 -1.055 0.885 0.00 0.00 +0.001 A ATOM 26 C LIG 1 7.256 -1.208 -0.487 0.00 0.00 +0.001 A ATOM 27 C LIG 1 6.017 -0.961 -1.080 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 4.016 0.082 1.999 0.00 0.00 +0.183 A ATOM 29 N LIG 1 3.029 0.897 1.606 0.00 0.00 -0.271 N ATOM 30 H LIG 1 2.836 1.287 0.702 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 2.260 1.129 2.680 0.00 0.00 +0.440 A ATOM 32 O LIG 1 1.261 1.828 2.704 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 2.793 0.454 3.748 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 3.957 -0.217 3.256 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 -3.944 -2.451 -1.155 0.00 0.00 +0.141 C BRANCH 35 36 ATOM 36 C LIG 1 -3.376 -3.468 -0.233 0.00 0.00 +0.232 A ATOM 37 O LIG 1 -2.360 -4.244 -0.712 0.00 0.00 -0.338 OA ATOM 38 N LIG 1 -1.983 -5.088 0.335 0.00 0.00 -0.062 NA ATOM 39 C LIG 1 -2.810 -4.733 1.327 0.00 0.00 +0.169 A ATOM 40 C LIG 1 -2.768 -5.370 2.655 0.00 0.00 +0.091 C ATOM 41 N LIG 1 -3.695 -3.734 1.014 0.00 0.00 -0.196 NA ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 10