REMARK Name = BDB048085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.741 0.670 -2.102 0.00 0.00 +0.174 C ATOM 2 C LIG 1 -0.473 1.145 -3.527 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -2.147 0.419 -1.981 0.00 0.00 -0.489 OA BRANCH 3 7 ATOM 4 C LIG 1 -4.699 3.008 0.097 0.00 0.00 -0.047 A ATOM 5 C LIG 1 -5.049 1.678 -0.166 0.00 0.00 +0.011 A ATOM 6 C LIG 1 -4.182 0.823 -0.871 0.00 0.00 -0.001 A ATOM 7 C LIG 1 -2.934 1.309 -1.302 0.00 0.00 +0.124 A ATOM 8 C LIG 1 -2.595 2.642 -1.058 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.466 3.481 -0.356 0.00 0.00 +0.007 A BRANCH 4 11 ATOM 10 C LIG 1 -5.415 3.775 2.374 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -5.628 3.905 0.874 0.00 0.00 +0.032 C ENDBRANCH 4 11 BRANCH 6 12 ATOM 12 C LIG 1 -4.622 -0.601 -1.155 0.00 0.00 +0.074 C BRANCH 12 13 ATOM 13 C LIG 1 -3.940 -1.669 -0.328 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -3.343 -2.771 -0.960 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.732 -3.778 -0.210 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -2.714 -3.697 1.181 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.311 -2.614 1.822 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.926 -1.608 1.073 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 7 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -0.015 -0.658 -1.835 0.00 0.00 +0.085 C BRANCH 19 20 ATOM 20 C LIG 1 -0.001 -1.000 -0.343 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 0.823 -0.083 0.382 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 2.147 -0.373 0.552 0.00 0.00 +0.121 A ATOM 23 C LIG 1 2.858 -1.403 -0.064 0.00 0.00 +0.049 A ATOM 24 C LIG 1 4.232 -1.591 0.185 0.00 0.00 -0.044 A ATOM 25 C LIG 1 4.941 -2.733 -0.494 0.00 0.00 +0.044 C ATOM 26 C LIG 1 4.897 -0.731 1.083 0.00 0.00 -0.044 A ATOM 27 C LIG 1 4.174 0.307 1.691 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.816 0.482 1.425 0.00 0.00 +0.046 A BRANCH 26 29 ATOM 29 C LIG 1 6.372 -0.860 1.393 0.00 0.00 +0.046 C BRANCH 29 30 ATOM 30 C LIG 1 7.211 0.022 0.470 0.00 0.00 +0.125 C BRANCH 30 31 ATOM 31 C LIG 1 8.683 -0.124 0.760 0.00 0.00 +0.305 C ATOM 32 O LIG 1 9.169 -0.859 1.605 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 9.443 0.664 -0.035 0.00 0.00 -0.481 OA ATOM 34 H LIG 1 8.927 1.202 -0.666 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13