REMARK Name = BDB014492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.873 1.927 2.003 0.00 0.00 -0.272 OA ATOM 2 C LIG 1 0.600 0.780 1.642 0.00 0.00 +0.251 C ATOM 3 N LIG 1 0.314 0.571 0.323 0.00 0.00 -0.310 N ATOM 4 H LIG 1 0.368 1.421 -0.224 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -0.083 -0.657 -0.341 0.00 0.00 +0.136 C BRANCH 5 6 ATOM 6 C LIG 1 -1.585 -0.980 -0.203 0.00 0.00 +0.145 C BRANCH 6 7 ATOM 7 O LIG 1 -1.784 -2.337 -0.623 0.00 0.00 -0.389 OA ATOM 8 H LIG 1 -1.401 -2.911 0.062 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -2.447 -0.033 -1.073 0.00 0.00 +0.117 C BRANCH 9 10 ATOM 10 N LIG 1 -3.846 0.119 -0.605 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 -4.500 1.204 -1.369 0.00 0.00 +0.120 C ATOM 12 C LIG 1 -5.973 1.370 -1.063 0.00 0.00 -0.030 A ATOM 13 C LIG 1 -6.717 0.314 -0.513 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -8.088 0.477 -0.273 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -8.723 1.676 -0.598 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.991 2.722 -1.155 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.024 -0.962 -0.114 0.00 0.00 +0.051 C ATOM 18 C LIG 1 -6.624 2.570 -1.391 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -4.632 -1.118 -0.750 0.00 0.00 +0.089 C ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 5 6 ENDBRANCH 3 5 BRANCH 2 20 ATOM 20 C LIG 1 0.584 -0.388 2.627 0.00 0.00 +0.324 C BRANCH 20 21 ATOM 21 O LIG 1 1.909 -0.787 2.980 0.00 0.00 -0.479 OA BRANCH 21 22 ATOM 22 C LIG 1 2.246 -1.985 2.414 0.00 0.00 +0.163 A ATOM 23 C LIG 1 3.121 -2.048 1.324 0.00 0.00 +0.162 A ATOM 24 C LIG 1 3.385 -3.286 0.734 0.00 0.00 +0.049 A ATOM 25 C LIG 1 2.831 -4.455 1.258 0.00 0.00 +0.004 A ATOM 26 C LIG 1 2.007 -4.393 2.381 0.00 0.00 +0.004 A ATOM 27 C LIG 1 1.717 -3.160 2.961 0.00 0.00 +0.049 A BRANCH 23 28 ATOM 28 O LIG 1 3.705 -0.976 0.709 0.00 0.00 -0.487 OA BRANCH 28 29 ATOM 29 C LIG 1 4.290 -0.017 1.601 0.00 0.00 +0.244 C BRANCH 29 30 ATOM 30 C LIG 1 5.487 0.665 0.905 0.00 0.00 +0.125 C BRANCH 30 31 ATOM 31 N LIG 1 5.130 1.775 -0.001 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 6.324 2.455 -0.545 0.00 0.00 +0.112 C ATOM 33 C LIG 1 6.646 2.056 -1.993 0.00 0.00 +0.175 C ATOM 34 O LIG 1 5.580 2.349 -2.907 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 4.286 2.311 -2.287 0.00 0.00 +0.175 C ATOM 36 C LIG 1 4.230 1.346 -1.093 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 12