REMARK Name = BDB015158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.334 -1.162 0.475 0.00 0.00 +0.166 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.832 -2.445 0.890 0.00 0.00 -0.387 OA ATOM 3 H LIG 1 -1.748 -2.270 1.191 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -1.487 -0.370 -0.188 0.00 0.00 +0.120 C BRANCH 4 6 ATOM 5 C LIG 1 -3.958 -0.522 -0.222 0.00 0.00 +0.197 C ATOM 6 N LIG 1 -2.724 -0.392 0.625 0.00 0.00 -0.283 NA ATOM 7 C LIG 1 -2.854 0.786 1.498 0.00 0.00 +0.090 C ATOM 8 C LIG 1 -3.985 0.579 2.517 0.00 0.00 +0.051 C ATOM 9 C LIG 1 -5.244 0.006 1.916 0.00 0.00 -0.041 A ATOM 10 C LIG 1 -6.427 -0.015 2.667 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -7.587 -0.582 2.141 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -7.575 -1.139 0.864 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -6.401 -1.130 0.111 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -5.225 -0.562 0.629 0.00 0.00 -0.016 A BRANCH 5 15 ATOM 15 C LIG 1 -4.037 0.536 -1.353 0.00 0.00 +0.329 C ATOM 16 O LIG 1 -3.483 0.407 -2.441 0.00 0.00 -0.249 OA BRANCH 15 17 ATOM 17 O LIG 1 -4.749 1.641 -0.986 0.00 0.00 -0.464 OA BRANCH 17 19 ATOM 18 C LIG 1 -6.050 2.394 -2.881 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -4.869 2.675 -1.971 0.00 0.00 +0.229 C ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 5 15 ENDBRANCH 4 6 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 0.343 -0.481 1.669 0.00 0.00 +0.261 C BRANCH 20 21 ATOM 21 O LIG 1 0.717 0.869 1.399 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 1.867 1.110 0.702 0.00 0.00 +0.121 A ATOM 23 C LIG 1 2.811 0.161 0.302 0.00 0.00 +0.054 A ATOM 24 C LIG 1 3.960 0.537 -0.420 0.00 0.00 -0.014 A ATOM 25 C LIG 1 4.140 1.895 -0.729 0.00 0.00 +0.009 A ATOM 26 C LIG 1 3.205 2.848 -0.329 0.00 0.00 +0.004 A ATOM 27 C LIG 1 2.075 2.454 0.384 0.00 0.00 +0.045 A BRANCH 24 28 ATOM 28 C LIG 1 4.950 -0.469 -0.840 0.00 0.00 -0.016 A ATOM 29 C LIG 1 6.298 -0.345 -0.448 0.00 0.00 +0.036 A ATOM 30 C LIG 1 7.201 -1.330 -0.871 0.00 0.00 +0.069 A ATOM 31 C LIG 1 6.821 -2.414 -1.657 0.00 0.00 +0.089 A ATOM 32 N LIG 1 7.894 -3.227 -1.930 0.00 0.00 -0.236 NA ATOM 33 C LIG 1 8.915 -2.663 -1.325 0.00 0.00 +0.200 A ATOM 34 C LIG 1 5.482 -2.540 -2.048 0.00 0.00 +0.030 A ATOM 35 N LIG 1 8.546 -1.521 -0.674 0.00 0.00 -0.333 N ATOM 36 C LIG 1 9.423 -0.668 0.087 0.00 0.00 +0.150 C ATOM 37 C LIG 1 4.562 -1.564 -1.634 0.00 0.00 +0.011 A ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 10