REMARK Name = BDB059773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.172 1.732 -0.024 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.182 0.664 0.763 0.00 0.00 -0.292 N ATOM 3 C LIG 1 0.622 -0.462 0.790 0.00 0.00 +0.258 A ATOM 4 O LIG 1 0.357 -1.474 1.438 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 1.864 -0.425 -0.020 0.00 0.00 +0.048 A ATOM 6 C LIG 1 2.107 0.694 -0.726 0.00 0.00 +0.055 A ATOM 7 N LIG 1 1.250 1.762 -0.740 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 3.366 0.900 -1.570 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.017 1.005 -3.057 0.00 0.00 +0.014 C ATOM 10 C LIG 1 4.151 2.132 -1.110 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 -0.724 2.960 -0.133 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 -1.538 2.906 -1.428 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 -2.030 5.403 -1.563 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -2.606 3.996 -1.519 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 -1.362 0.645 1.633 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 -2.658 0.370 0.898 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -3.745 1.245 1.025 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -4.941 0.999 0.345 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -5.090 -0.140 -0.460 0.00 0.00 -0.017 A ATOM 20 C LIG 1 -4.007 -1.022 -0.572 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -2.809 -0.776 0.106 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 -6.353 -0.401 -1.167 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -7.217 -1.479 -0.873 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -8.367 -1.690 -1.658 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -8.682 -0.832 -2.710 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -7.851 0.243 -2.996 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.699 0.453 -2.236 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 -7.013 -2.435 0.236 0.00 0.00 +0.183 A ATOM 29 N LIG 1 -6.403 -2.086 1.376 0.00 0.00 -0.271 N ATOM 30 H LIG 1 -5.998 -1.208 1.648 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 -6.407 -3.167 2.169 0.00 0.00 +0.440 A ATOM 32 O LIG 1 -5.940 -3.230 3.294 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 -7.033 -4.190 1.504 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 -7.426 -3.661 0.235 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 2.716 -1.665 0.040 0.00 0.00 +0.141 C BRANCH 35 36 ATOM 36 C LIG 1 3.723 -1.660 1.131 0.00 0.00 +0.232 A ATOM 37 O LIG 1 3.462 -2.433 2.224 0.00 0.00 -0.338 OA ATOM 38 N LIG 1 4.543 -2.267 3.093 0.00 0.00 -0.061 NA ATOM 39 C LIG 1 5.349 -1.428 2.426 0.00 0.00 +0.176 A ATOM 40 N LIG 1 4.862 -1.008 1.210 0.00 0.00 -0.195 NA BRANCH 39 41 ATOM 41 C LIG 1 6.636 -0.944 2.983 0.00 0.00 +0.114 C BRANCH 41 42 ATOM 42 C LIG 1 7.712 -1.828 2.399 0.00 0.00 -0.040 A ATOM 43 C LIG 1 8.102 -3.006 3.055 0.00 0.00 +0.004 A ATOM 44 C LIG 1 9.096 -3.822 2.513 0.00 0.00 +0.000 A ATOM 45 C LIG 1 9.710 -3.473 1.312 0.00 0.00 +0.000 A ATOM 46 C LIG 1 9.328 -2.308 0.648 0.00 0.00 +0.000 A ATOM 47 C LIG 1 8.334 -1.490 1.187 0.00 0.00 +0.004 A ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 12