REMARK Name = BDB001574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.754 -1.055 0.899 0.00 0.00 +0.164 C ATOM 2 C LIG 1 -3.366 -2.427 1.201 0.00 0.00 +0.044 C ATOM 3 C LIG 1 -3.006 -2.895 2.624 0.00 0.00 +0.010 C ATOM 4 C LIG 1 -1.514 -3.112 2.874 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -0.725 -1.829 3.175 0.00 0.00 +0.077 C ATOM 6 C LIG 1 0.752 -2.184 3.489 0.00 0.00 +0.025 C ATOM 7 C LIG 1 1.569 -1.494 2.397 0.00 0.00 +0.034 C ATOM 8 C LIG 1 0.723 -0.265 2.127 0.00 0.00 +0.162 C ATOM 9 N LIG 1 -0.645 -0.796 2.133 0.00 0.00 -0.285 N ATOM 10 C LIG 1 -1.216 -1.085 0.894 0.00 0.00 +0.237 C ATOM 11 O LIG 1 -0.567 -1.304 -0.130 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -4.329 0.213 -0.530 0.00 0.00 +0.231 C ATOM 13 N LIG 1 -3.174 -0.522 -0.396 0.00 0.00 -0.302 N ATOM 14 H LIG 1 -2.432 -0.387 -1.076 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -5.136 0.342 0.391 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 -4.521 0.946 -1.881 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 N LIG 1 -3.961 2.317 -1.813 0.00 0.00 -0.309 NA ATOM 18 H LIG 1 -4.404 2.792 -1.023 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -2.516 2.397 -1.645 0.00 0.00 +0.101 C ENDBRANCH 16 17 BRANCH 16 21 ATOM 20 C LIG 1 -4.862 -1.109 -3.341 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -4.066 0.174 -3.129 0.00 0.00 +0.025 C ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 8 22 ATOM 22 C LIG 1 1.103 0.695 0.973 0.00 0.00 +0.234 C ATOM 23 N LIG 1 2.431 0.690 0.614 0.00 0.00 -0.303 N ATOM 24 H LIG 1 3.060 -0.014 0.969 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 0.287 1.475 0.479 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 2.938 1.533 -0.456 0.00 0.00 +0.134 C BRANCH 26 27 ATOM 27 C LIG 1 3.981 0.741 -1.240 0.00 0.00 -0.023 A ATOM 28 C LIG 1 3.553 -0.105 -2.279 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.468 -0.879 -2.995 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.823 -0.828 -2.677 0.00 0.00 +0.000 A ATOM 31 C LIG 1 6.263 -0.007 -1.641 0.00 0.00 +0.000 A ATOM 32 C LIG 1 5.349 0.767 -0.922 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 3.424 2.893 0.044 0.00 0.00 -0.023 A ATOM 34 C LIG 1 3.813 3.119 1.375 0.00 0.00 +0.006 A ATOM 35 C LIG 1 4.266 4.376 1.784 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.340 5.424 0.870 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.965 5.218 -0.455 0.00 0.00 +0.000 A ATOM 38 C LIG 1 3.513 3.962 -0.866 0.00 0.00 +0.006 A ENDBRANCH 26 33 ENDBRANCH 23 26 ENDBRANCH 8 22 BRANCH 2 39 ATOM 39 C LIG 1 -3.030 -3.469 0.121 0.00 0.00 +0.161 C BRANCH 39 40 ATOM 40 O LIG 1 -3.613 -4.724 0.455 0.00 0.00 -0.395 OA ATOM 41 H LIG 1 -3.441 -5.325 -0.291 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 2 39 TORSDOF 10