REMARK Name = BDB026472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.143 -1.585 1.117 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -1.188 -1.677 1.541 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -1.736 -0.936 2.340 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.747 -2.788 0.909 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.817 -3.363 -0.036 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.520 -2.796 0.419 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.085 -0.749 1.838 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 4.775 -0.162 -0.204 0.00 0.00 +0.055 A ATOM 9 C LIG 1 3.583 0.384 -0.646 0.00 0.00 +0.124 A ATOM 10 N LIG 1 2.406 0.224 0.005 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 2.406 -0.541 1.130 0.00 0.00 +0.059 A ATOM 12 C LIG 1 3.566 -1.150 1.616 0.00 0.00 +0.025 A ATOM 13 C LIG 1 4.768 -0.959 0.937 0.00 0.00 +0.016 A BRANCH 8 15 ATOM 14 O LIG 1 6.089 -0.502 -2.067 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 6.001 0.059 -0.980 0.00 0.00 +0.248 C ATOM 16 N LIG 1 6.978 0.892 -0.451 0.00 0.00 -0.293 N ATOM 17 C LIG 1 6.813 1.729 0.745 0.00 0.00 +0.136 C ATOM 18 C LIG 1 8.151 2.320 1.200 0.00 0.00 +0.179 C ATOM 19 O LIG 1 8.798 3.106 0.192 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 8.559 2.652 -1.149 0.00 0.00 +0.179 C ATOM 21 C LIG 1 8.178 1.171 -1.244 0.00 0.00 +0.136 C ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.160 -3.144 0.956 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 C LIG 1 -3.982 -2.762 -0.293 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -3.519 -3.510 -1.430 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -4.077 -3.256 -2.185 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.971 -1.249 -0.607 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.671 -0.435 0.397 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.256 0.978 0.343 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.129 1.835 -0.542 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.521 1.686 -0.416 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.385 2.504 -1.145 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.859 3.459 -2.016 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.476 3.603 -2.150 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.000 0.629 0.542 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -4.609 2.798 -1.409 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.136 -0.635 0.367 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8