REMARK Name = BDB026502 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.277 -0.604 0.887 0.00 0.00 -0.288 N ATOM 2 C LIG 1 2.424 0.779 1.058 0.00 0.00 +0.070 A ATOM 3 C LIG 1 1.162 1.363 0.921 0.00 0.00 +0.070 A ATOM 4 C LIG 1 0.975 2.725 1.039 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.104 3.507 1.303 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.377 2.918 1.442 0.00 0.00 +0.002 A ATOM 7 N LIG 1 0.239 0.341 0.659 0.00 0.00 -0.290 N ATOM 8 C LIG 1 3.547 1.535 1.320 0.00 0.00 +0.028 A ATOM 9 C LIG 1 0.919 -0.897 0.634 0.00 0.00 +0.331 A ATOM 10 O LIG 1 0.444 -2.001 0.422 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.328 -1.586 0.931 0.00 0.00 +0.162 C BRANCH 11 18 ATOM 12 C LIG 1 8.753 -1.008 -0.524 0.00 0.00 +0.150 C ATOM 13 N LIG 1 7.741 -1.217 -1.527 0.00 0.00 -0.333 N ATOM 14 C LIG 1 6.396 -1.371 -1.300 0.00 0.00 +0.069 A ATOM 15 C LIG 1 5.861 -1.549 -2.574 0.00 0.00 +0.089 A ATOM 16 C LIG 1 4.481 -1.747 -2.717 0.00 0.00 +0.030 A ATOM 17 C LIG 1 3.677 -1.756 -1.570 0.00 0.00 +0.007 A ATOM 18 C LIG 1 4.225 -1.563 -0.290 0.00 0.00 -0.026 A ATOM 19 N LIG 1 6.843 -1.500 -3.533 0.00 0.00 -0.236 NA ATOM 20 C LIG 1 5.612 -1.376 -0.139 0.00 0.00 +0.033 A ATOM 21 C LIG 1 7.960 -1.300 -2.872 0.00 0.00 +0.200 A ENDBRANCH 11 18 ENDBRANCH 1 11 BRANCH 7 22 ATOM 22 C LIG 1 -1.193 0.506 0.525 0.00 0.00 +0.159 C BRANCH 22 23 ATOM 23 C LIG 1 -1.899 0.636 1.887 0.00 0.00 +0.148 C BRANCH 23 24 ATOM 24 O LIG 1 -1.884 -0.610 2.592 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.263 -0.460 3.474 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.347 1.177 1.753 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.178 0.598 0.681 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.446 1.351 0.571 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.435 0.759 -0.409 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.341 -0.586 -0.804 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.287 -1.121 -1.688 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.337 -0.333 -2.158 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.446 0.995 -1.753 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.186 -1.428 -0.328 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.502 1.539 -0.881 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.476 -0.829 0.895 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 7