REMARK Name = BDB002395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.301 0.783 0.738 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.482 1.121 -0.960 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.093 1.028 0.371 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.781 0.562 0.954 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 0.703 1.372 -1.872 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.000 0.888 -1.153 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 4.277 -0.583 0.412 0.00 0.00 +0.230 C ATOM 8 N LIG 1 3.272 -0.408 -0.511 0.00 0.00 -0.302 N ATOM 9 H LIG 1 2.640 -1.174 -0.729 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 5.006 0.347 0.758 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 4.477 -2.037 0.922 0.00 0.00 +0.137 C ATOM 12 C LIG 1 3.180 -2.716 1.357 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 5.086 -1.584 3.275 0.00 0.00 +0.101 C ATOM 14 N LIG 1 5.527 -2.074 1.973 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 6.280 -1.456 1.652 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 3.430 0.900 -2.639 0.00 0.00 +0.012 C ATOM 17 C LIG 1 3.376 2.321 -3.215 0.00 0.00 +0.009 C ATOM 18 C LIG 1 4.848 0.350 -2.839 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -0.613 -0.689 0.341 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -1.937 -1.058 0.360 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -2.659 -0.357 0.436 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 0.287 -1.503 0.114 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 -2.372 -2.388 -0.046 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -3.758 -2.638 0.517 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -4.909 -2.573 -0.293 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -6.170 -2.783 0.285 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.296 -3.034 1.651 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.161 -3.089 2.455 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.819 -2.356 -1.784 0.00 0.00 +0.035 C ATOM 30 C LIG 1 -3.476 -1.790 -2.237 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -3.901 -2.890 1.893 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -2.328 -2.545 -1.575 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 -1.302 1.830 0.224 0.00 0.00 +0.032 C BRANCH 33 34 ATOM 34 C LIG 1 -0.883 3.270 0.542 0.00 0.00 +0.003 C BRANCH 34 35 ATOM 35 C LIG 1 -1.943 4.272 0.077 0.00 0.00 +0.015 C BRANCH 35 36 ATOM 36 C LIG 1 -1.517 5.707 0.385 0.00 0.00 +0.077 C BRANCH 36 37 ATOM 37 N LIG 1 -2.530 6.661 -0.056 0.00 0.00 -0.330 NA ATOM 38 H LIG 1 -3.425 6.436 0.375 0.00 0.00 +0.118 HD ATOM 39 H LIG 1 -2.671 6.566 -1.062 0.00 0.00 +0.118 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 13