REMARK Name = BDB060547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.554 -0.424 -1.807 0.00 0.00 +0.123 A ATOM 2 C LIG 1 2.247 -0.916 -1.756 0.00 0.00 +0.075 A ATOM 3 C LIG 1 1.158 -0.089 -1.510 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.377 1.287 -1.308 0.00 0.00 +0.092 A ATOM 5 N LIG 1 0.366 2.136 -1.066 0.00 0.00 -0.227 NA ATOM 6 C LIG 1 -0.887 1.623 -1.020 0.00 0.00 +0.163 A ATOM 7 N LIG 1 -1.951 2.493 -0.712 0.00 0.00 -0.304 N ATOM 8 C LIG 1 -3.255 2.012 -1.207 0.00 0.00 +0.123 C ATOM 9 C LIG 1 -4.394 2.954 -0.817 0.00 0.00 -0.022 A ATOM 10 C LIG 1 -4.141 4.213 -0.232 0.00 0.00 -0.041 A ATOM 11 C LIG 1 -2.728 4.649 0.072 0.00 0.00 +0.054 C ATOM 12 C LIG 1 -5.207 5.057 0.112 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -6.521 4.683 -0.159 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.780 3.466 -0.778 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -5.727 2.612 -1.110 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -3.451 0.562 -0.680 0.00 0.00 +0.133 C ATOM 17 N LIG 1 -2.408 -0.324 -1.211 0.00 0.00 -0.310 N ATOM 18 C LIG 1 -1.700 3.924 -0.798 0.00 0.00 +0.112 C ATOM 19 C LIG 1 -1.112 0.221 -1.219 0.00 0.00 +0.162 A ATOM 20 C LIG 1 2.676 1.775 -1.358 0.00 0.00 +0.033 A ATOM 21 N LIG 1 -0.077 -0.615 -1.472 0.00 0.00 -0.227 NA ATOM 22 C LIG 1 3.766 0.934 -1.605 0.00 0.00 +0.048 A ENDROOT BRANCH 1 23 ATOM 23 O LIG 1 4.507 -1.369 -2.054 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 5.879 -0.978 -2.110 0.00 0.00 +0.230 C BRANCH 24 25 ATOM 25 C LIG 1 6.518 -0.924 -0.721 0.00 0.00 +0.056 C BRANCH 25 26 ATOM 26 C LIG 1 6.454 -2.288 -0.015 0.00 0.00 +0.087 C BRANCH 26 28 ATOM 27 C LIG 1 6.362 -1.540 2.307 0.00 0.00 +0.104 C ATOM 28 N LIG 1 7.060 -2.363 1.323 0.00 0.00 -0.308 NA ATOM 29 C LIG 1 8.492 -2.087 1.323 0.00 0.00 +0.104 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 BRANCH 17 30 ATOM 30 C LIG 1 -2.546 -1.772 -1.077 0.00 0.00 +0.108 C BRANCH 30 31 ATOM 31 C LIG 1 -2.265 -2.284 0.343 0.00 0.00 +0.034 C BRANCH 31 32 ATOM 32 C LIG 1 -3.557 -2.473 1.151 0.00 0.00 +0.085 C BRANCH 32 33 ATOM 33 N LIG 1 -3.323 -2.842 2.559 0.00 0.00 -0.308 NA ATOM 34 C LIG 1 -4.583 -2.806 3.305 0.00 0.00 +0.104 C ATOM 35 C LIG 1 -2.705 -4.163 2.694 0.00 0.00 +0.104 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 17 30 TORSDOF 9