REMARK Name = BDB024983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.429 -0.504 -0.130 0.00 0.00 +0.147 A ATOM 2 N LIG 1 -0.885 0.771 -0.309 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.498 0.649 -0.290 0.00 0.00 +0.070 A ATOM 4 C LIG 1 0.731 -0.692 -0.036 0.00 0.00 +0.094 A ATOM 5 C LIG 1 2.048 -1.188 0.072 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.324 -2.643 0.317 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.463 -2.725 1.306 0.00 0.00 +0.027 C ATOM 8 C LIG 1 4.722 -2.046 0.745 0.00 0.00 +0.082 C ATOM 9 C LIG 1 5.668 -1.791 1.933 0.00 0.00 +0.028 C ATOM 10 N LIG 1 4.475 -0.801 -0.025 0.00 0.00 -0.234 N ATOM 11 C LIG 1 5.507 -0.236 -0.795 0.00 0.00 +0.407 C ATOM 12 O LIG 1 5.424 0.762 -1.503 0.00 0.00 -0.226 OA ATOM 13 C LIG 1 3.129 -0.298 -0.107 0.00 0.00 +0.045 A ATOM 14 C LIG 1 2.858 1.051 -0.374 0.00 0.00 +0.026 A ATOM 15 C LIG 1 1.552 1.549 -0.473 0.00 0.00 +0.030 A ATOM 16 N LIG 1 -0.448 -1.372 0.061 0.00 0.00 -0.229 NA ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 -1.604 2.034 -0.512 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.315 3.069 0.594 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.137 4.363 0.429 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.445 4.705 -1.035 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.414 4.122 -1.990 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.399 2.596 -1.934 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.434 4.303 1.218 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.972 3.276 1.597 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.964 5.524 1.458 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.443 6.268 1.102 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 2 17 BRANCH 11 27 ATOM 27 O LIG 1 6.667 -0.958 -0.719 0.00 0.00 -0.453 OA ATOM 28 C LIG 1 7.741 -0.445 -1.508 0.00 0.00 +0.282 C ENDBRANCH 11 27 BRANCH 1 29 ATOM 29 C LIG 1 -2.924 -0.857 -0.172 0.00 0.00 +0.148 C BRANCH 29 30 ATOM 30 C LIG 1 -3.281 -2.348 -0.387 0.00 0.00 -0.009 A ATOM 31 C LIG 1 -4.449 -2.693 -1.103 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -4.827 -4.026 -1.292 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.056 -5.050 -0.755 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.918 -4.739 -0.018 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.542 -3.404 0.172 0.00 0.00 +0.007 A ENDBRANCH 29 30 BRANCH 29 37 ATOM 36 C LIG 1 -3.240 -0.895 2.407 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.684 -0.323 1.065 0.00 0.00 +0.044 C ENDBRANCH 29 37 BRANCH 29 38 ATOM 38 O LIG 1 -3.411 -0.163 -1.340 0.00 0.00 -0.376 OA ATOM 39 H LIG 1 -3.041 -0.656 -2.096 0.00 0.00 +0.211 HD ENDBRANCH 29 38 ENDBRANCH 1 29 TORSDOF 8