REMARK Name = BDB058534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.909 -3.094 -0.644 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.479 -1.939 -0.161 0.00 0.00 -0.301 N ATOM 3 H LIG 1 1.033 -1.488 0.637 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 1.185 -3.570 -1.742 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 15 ATOM 5 C LIG 1 -2.967 -1.073 0.527 0.00 0.00 +0.159 C ATOM 6 C LIG 1 -1.629 -1.792 0.758 0.00 0.00 +0.237 C ATOM 7 O LIG 1 -0.731 -1.254 1.418 0.00 0.00 -0.274 OA ATOM 8 N LIG 1 -1.432 -3.012 0.141 0.00 0.00 -0.285 N ATOM 9 C LIG 1 -2.448 -3.925 -0.392 0.00 0.00 +0.077 C ATOM 10 C LIG 1 -1.624 -5.084 -0.966 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -0.442 -5.166 -0.012 0.00 0.00 +0.034 C ATOM 12 C LIG 1 -3.473 -3.405 -1.408 0.00 0.00 +0.022 C ATOM 13 C LIG 1 -2.973 -2.457 -2.491 0.00 0.00 +0.002 C ATOM 14 C LIG 1 -2.357 -1.138 -2.030 0.00 0.00 +0.002 C ATOM 15 C LIG 1 -0.143 -3.702 0.309 0.00 0.00 +0.162 C ATOM 16 C LIG 1 -3.048 -0.419 -0.867 0.00 0.00 +0.032 C BRANCH 5 18 ATOM 17 C LIG 1 -4.310 0.505 1.903 0.00 0.00 +0.230 C ATOM 18 N LIG 1 -3.100 -0.059 1.573 0.00 0.00 -0.303 N ATOM 19 H LIG 1 -2.237 0.297 1.973 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -5.370 0.147 1.391 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.235 1.579 3.012 0.00 0.00 +0.137 C ATOM 22 C LIG 1 -4.537 0.894 4.344 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 -5.281 3.700 3.669 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -5.159 2.671 2.654 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 -6.074 2.263 2.444 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 5 18 ENDBRANCH 1 15 BRANCH 2 26 ATOM 26 C LIG 1 2.337 -1.115 -0.976 0.00 0.00 +0.155 C BRANCH 26 27 ATOM 27 C LIG 1 1.549 -0.044 -1.713 0.00 0.00 -0.021 A ATOM 28 C LIG 1 1.486 -0.076 -3.118 0.00 0.00 +0.006 A ATOM 29 C LIG 1 0.757 0.882 -3.824 0.00 0.00 +0.000 A ATOM 30 C LIG 1 0.073 1.885 -3.139 0.00 0.00 +0.000 A ATOM 31 C LIG 1 0.112 1.926 -1.748 0.00 0.00 +0.000 A ATOM 32 C LIG 1 0.837 0.966 -1.039 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 3.337 -0.395 -0.125 0.00 0.00 +0.107 A ATOM 34 N LIG 1 3.123 -0.160 1.217 0.00 0.00 -0.132 NA ATOM 35 N LIG 1 4.171 0.493 1.700 0.00 0.00 -0.065 NA ATOM 36 N LIG 1 5.032 0.684 0.685 0.00 0.00 -0.247 N ATOM 37 C LIG 1 4.571 0.124 -0.470 0.00 0.00 +0.136 A BRANCH 36 38 ATOM 38 C LIG 1 6.297 1.359 0.907 0.00 0.00 +0.180 C BRANCH 38 39 ATOM 39 C LIG 1 6.298 2.748 0.320 0.00 0.00 -0.026 A ATOM 40 C LIG 1 7.058 3.042 -0.821 0.00 0.00 +0.005 A ATOM 41 C LIG 1 7.049 4.329 -1.363 0.00 0.00 +0.000 A ATOM 42 C LIG 1 6.282 5.331 -0.772 0.00 0.00 +0.000 A ATOM 43 C LIG 1 5.523 5.050 0.362 0.00 0.00 +0.000 A ATOM 44 C LIG 1 5.530 3.766 0.906 0.00 0.00 +0.005 A ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 26 33 ENDBRANCH 2 26 TORSDOF 9