REMARK Name = BDB026854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.603 -3.477 0.103 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.716 -4.973 0.367 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.917 -5.888 -0.680 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.011 -7.258 -0.426 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.917 -7.733 0.880 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.733 -6.838 1.933 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.634 -5.467 1.680 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.890 -2.948 -0.420 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.625 -3.169 0.245 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.886 -1.511 -0.721 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -2.645 -0.591 0.485 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -2.486 3.564 -0.707 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -3.660 3.023 -0.180 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -3.720 1.681 0.207 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -2.594 0.863 0.083 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -1.416 1.410 -0.442 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -1.361 2.753 -0.835 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -1.455 5.438 -1.738 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -2.566 4.886 -1.046 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.413 -3.148 -0.847 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.411 -3.466 -2.042 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.691 -2.352 -0.287 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.519 -1.417 -0.994 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.370 -0.813 -0.064 0.00 0.00 +0.050 A ATOM 25 C LIG 1 3.275 0.213 -0.397 0.00 0.00 -0.023 A ATOM 26 C LIG 1 3.303 0.602 -1.749 0.00 0.00 +0.006 A ATOM 27 C LIG 1 2.480 0.008 -2.702 0.00 0.00 +0.001 A ATOM 28 N LIG 1 2.123 -1.417 1.147 0.00 0.00 -0.360 N ATOM 29 H LIG 1 2.620 -1.204 2.001 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 1.582 -0.996 -2.337 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.114 -2.332 1.029 0.00 0.00 +0.095 A BRANCH 25 32 ATOM 32 C LIG 1 4.154 0.917 0.612 0.00 0.00 +0.046 C BRANCH 32 33 ATOM 33 C LIG 1 3.424 2.071 1.305 0.00 0.00 +0.100 C BRANCH 33 34 ATOM 34 C LIG 1 3.459 3.377 0.520 0.00 0.00 +0.215 C ATOM 35 N LIG 1 2.691 4.426 1.013 0.00 0.00 -0.308 N ATOM 36 C LIG 1 2.668 5.684 0.284 0.00 0.00 +0.131 C ATOM 37 C LIG 1 1.809 4.350 2.170 0.00 0.00 +0.131 C ATOM 38 O LIG 1 4.167 3.502 -0.480 0.00 0.00 -0.276 OA ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 11