REMARK Name = BDB042166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.811 -0.220 0.369 0.00 0.00 -0.282 N ATOM 2 C LIG 1 5.541 -1.560 0.133 0.00 0.00 +0.248 C ATOM 3 O LIG 1 6.277 -2.513 0.301 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 4.167 -1.634 -0.373 0.00 0.00 +0.044 A ATOM 5 C LIG 1 3.680 -0.333 -0.496 0.00 0.00 -0.018 A ATOM 6 C LIG 1 2.395 -0.108 -0.963 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.601 -1.219 -1.303 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.131 -2.522 -1.166 0.00 0.00 +0.129 A ATOM 9 F LIG 1 1.384 -3.582 -1.507 0.00 0.00 -0.205 F ATOM 10 C LIG 1 3.423 -2.747 -0.702 0.00 0.00 +0.052 A ATOM 11 C LIG 1 4.729 0.646 -0.082 0.00 0.00 +0.144 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 10.209 3.027 0.681 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.365 2.136 0.709 0.00 0.00 +0.219 C ATOM 14 N LIG 1 9.052 1.423 -0.420 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.505 1.753 -1.263 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.877 0.739 -0.632 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.460 0.561 -1.775 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 7.162 0.256 0.641 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.189 1.375 1.678 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.632 1.754 1.973 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 7 21 ATOM 21 C LIG 1 0.184 -1.032 -1.801 0.00 0.00 +0.122 C BRANCH 21 22 ATOM 22 N LIG 1 -0.830 -1.226 -0.756 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 -2.192 -1.318 -1.327 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -3.011 -0.010 -1.237 0.00 0.00 +0.100 C ATOM 25 N LIG 1 -3.150 0.524 0.128 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -2.106 0.010 1.031 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -0.762 -0.191 0.297 0.00 0.00 +0.100 C BRANCH 25 28 ATOM 28 C LIG 1 -4.511 0.490 0.720 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -5.127 -0.917 0.803 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -4.993 -1.670 1.983 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.536 -2.953 2.084 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.229 -3.503 1.010 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.384 -2.771 -0.164 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.839 -1.489 -0.267 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.462 1.570 0.158 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -6.816 1.591 0.550 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -7.690 2.579 0.088 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.226 3.580 -0.758 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.886 3.601 -1.133 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.011 2.613 -0.671 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 6