REMARK Name = BDB046477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.061 -0.833 1.546 0.00 0.00 -0.209 N ATOM 2 C LIG 1 3.675 -2.080 1.490 0.00 0.00 +0.347 A ATOM 3 O LIG 1 4.685 -2.444 2.071 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 2.886 -2.831 0.652 0.00 0.00 -0.277 N ATOM 5 C LIG 1 1.874 -2.026 0.272 0.00 0.00 +0.134 A ATOM 6 N LIG 1 1.932 -0.819 0.759 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.580 0.336 2.212 0.00 0.00 +0.184 C BRANCH 7 12 ATOM 8 C LIG 1 7.026 3.420 -1.333 0.00 0.00 +0.044 C ATOM 9 C LIG 1 6.143 2.648 -0.398 0.00 0.00 -0.050 A ATOM 10 C LIG 1 6.683 1.661 0.434 0.00 0.00 +0.004 A ATOM 11 C LIG 1 5.857 0.918 1.281 0.00 0.00 +0.006 A ATOM 12 C LIG 1 4.476 1.150 1.310 0.00 0.00 -0.026 A ATOM 13 C LIG 1 3.934 2.118 0.455 0.00 0.00 +0.006 A ATOM 14 C LIG 1 4.760 2.860 -0.392 0.00 0.00 +0.004 A ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 4 15 ATOM 15 C LIG 1 3.139 -4.223 0.338 0.00 0.00 +0.156 C BRANCH 15 16 ATOM 16 C LIG 1 2.678 -5.152 1.460 0.00 0.00 +0.177 C BRANCH 16 17 ATOM 17 O LIG 1 2.780 -6.505 1.033 0.00 0.00 -0.393 OA ATOM 18 H LIG 1 2.580 -7.064 1.805 0.00 0.00 +0.209 HD ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 4 15 BRANCH 5 19 ATOM 19 C LIG 1 0.797 -2.513 -0.662 0.00 0.00 +0.077 C BRANCH 19 20 ATOM 20 C LIG 1 -0.366 -1.540 -0.843 0.00 0.00 +0.012 C BRANCH 20 21 ATOM 21 C LIG 1 -1.272 -1.482 0.392 0.00 0.00 +0.035 C BRANCH 21 22 ATOM 22 C LIG 1 -2.402 -0.501 0.203 0.00 0.00 -0.047 A ATOM 23 C LIG 1 -2.209 0.858 0.471 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -3.251 1.767 0.280 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -4.494 1.341 -0.194 0.00 0.00 +0.122 A ATOM 26 C LIG 1 -4.693 -0.013 -0.454 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -3.650 -0.927 -0.263 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 O LIG 1 -5.423 2.336 -0.305 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 -6.576 2.210 -1.151 0.00 0.00 +0.200 C ATOM 30 C LIG 1 -7.228 3.604 -1.124 0.00 0.00 +0.067 C ATOM 31 C LIG 1 -6.208 1.891 -2.607 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 -7.639 1.248 -0.593 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -8.492 0.681 -1.261 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -7.561 1.101 0.755 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -6.790 1.589 1.116 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 5 19 TORSDOF 13