REMARK Name = BDB059763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.148 1.239 -1.411 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.410 0.107 -1.673 0.00 0.00 -0.292 N ATOM 3 C LIG 1 0.586 -1.026 -0.894 0.00 0.00 +0.258 A ATOM 4 O LIG 1 0.087 -2.118 -1.165 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 1.411 -0.870 0.327 0.00 0.00 +0.048 A ATOM 6 C LIG 1 2.030 0.311 0.506 0.00 0.00 +0.055 A ATOM 7 N LIG 1 1.932 1.345 -0.388 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 2.931 0.612 1.705 0.00 0.00 +0.032 C ATOM 9 C LIG 1 2.397 1.794 2.519 0.00 0.00 +0.014 C ATOM 10 C LIG 1 4.373 0.870 1.258 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 1.080 2.410 -2.391 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 1.840 3.670 -1.966 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 1.885 5.693 -0.463 0.00 0.00 +0.004 C ATOM 14 C LIG 1 1.109 4.450 -0.869 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 -0.551 -0.008 -2.773 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 -1.980 0.038 -2.259 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -2.713 -1.150 -2.126 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -3.972 -1.149 -1.524 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -4.525 0.042 -1.033 0.00 0.00 -0.017 A ATOM 20 C LIG 1 -3.824 1.241 -1.231 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -2.562 1.238 -1.831 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 -5.772 0.023 -0.260 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -5.870 -0.496 1.053 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -7.123 -0.521 1.695 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -8.264 -0.022 1.065 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -8.171 0.504 -0.218 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.939 0.524 -0.873 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 -4.733 -1.038 1.841 0.00 0.00 +0.183 A ATOM 29 N LIG 1 -3.460 -0.678 1.624 0.00 0.00 -0.271 N ATOM 30 H LIG 1 -3.070 -0.066 0.931 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 -2.700 -1.359 2.493 0.00 0.00 +0.440 A ATOM 32 O LIG 1 -1.481 -1.313 2.570 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 -3.523 -2.119 3.281 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 -4.856 -1.875 2.819 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 1.464 -2.063 1.246 0.00 0.00 +0.141 C BRANCH 35 36 ATOM 36 C LIG 1 2.679 -2.904 1.080 0.00 0.00 +0.232 A ATOM 37 O LIG 1 3.360 -3.226 2.220 0.00 0.00 -0.338 OA ATOM 38 N LIG 1 4.471 -3.970 1.818 0.00 0.00 -0.061 NA ATOM 39 C LIG 1 4.342 -4.013 0.487 0.00 0.00 +0.175 A ATOM 40 N LIG 1 3.244 -3.369 -0.013 0.00 0.00 -0.196 NA BRANCH 39 41 ATOM 41 C LIG 1 5.360 -4.740 -0.432 0.00 0.00 +0.060 C ATOM 42 C LIG 1 6.824 -4.384 -0.357 0.00 0.00 +0.012 C ATOM 43 C LIG 1 6.012 -3.965 -1.550 0.00 0.00 +0.012 C ENDBRANCH 39 41 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 11