REMARK Name = BDB039032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.728 -2.965 0.116 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.542 -2.788 -0.573 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.686 -1.633 -0.311 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.330 -1.692 -0.967 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.954 -2.761 -1.812 0.00 0.00 -0.039 A ATOM 6 C LIG 1 0.686 -2.789 -2.408 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.240 -1.763 -2.202 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.139 -0.710 -1.362 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.513 0.423 -0.901 0.00 0.00 -0.327 N ATOM 10 C LIG 1 0.419 1.185 -0.214 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.540 0.503 -0.060 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 2.910 -3.906 -2.035 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.395 -0.654 -0.773 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.359 -3.470 -1.844 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.579 -3.796 -0.182 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.288 2.606 0.266 0.00 0.00 +0.055 C ATOM 17 C LIG 1 0.067 3.613 -0.877 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.648 4.888 -0.421 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.253 5.281 0.998 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.597 4.194 2.020 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.702 2.793 1.412 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.062 -2.262 1.910 0.00 0.00 +0.282 C ATOM 23 O LIG 1 5.852 -2.110 1.169 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.898 0.750 -1.217 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 -2.961 -0.223 -0.631 0.00 0.00 +0.050 C BRANCH 25 26 ATOM 26 C LIG 1 -3.120 -0.069 0.888 0.00 0.00 -0.039 A ATOM 27 C LIG 1 -2.621 -1.025 1.801 0.00 0.00 -0.047 A ATOM 28 C LIG 1 -1.889 -2.269 1.370 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -2.793 -0.816 3.182 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -3.464 0.304 3.667 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.972 1.239 2.777 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.801 1.055 1.404 0.00 0.00 +0.004 A ENDBRANCH 25 26 BRANCH 25 33 ATOM 33 C LIG 1 -4.338 -0.033 -1.315 0.00 0.00 +0.130 C BRANCH 33 34 ATOM 34 C LIG 1 -4.402 -0.617 -2.704 0.00 0.00 +0.305 C ATOM 35 O LIG 1 -3.439 -0.974 -3.362 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.664 -0.678 -3.185 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -6.351 -0.368 -2.564 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8