REMARK Name = BDB061569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.591 0.857 0.799 0.00 0.00 +0.094 A ATOM 2 C LIG 1 0.164 2.006 0.961 0.00 0.00 +0.110 A ATOM 3 C LIG 1 1.535 1.840 0.843 0.00 0.00 +0.126 A ATOM 4 N LIG 1 2.119 0.637 0.635 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 1.312 -0.418 0.509 0.00 0.00 +0.190 A ATOM 6 N LIG 1 -0.022 -0.355 0.590 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.257 1.575 0.109 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -4.877 0.650 0.956 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -4.107 -0.183 1.784 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -2.711 -0.096 1.723 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -2.066 0.808 0.855 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -2.862 1.624 0.036 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -5.898 3.225 -0.071 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -4.920 2.426 -0.736 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -6.248 0.571 1.007 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -6.709 -0.408 0.075 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -4.804 -1.041 2.596 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -4.054 -1.913 3.430 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -0.426 3.269 1.271 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -0.903 4.293 1.539 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 2.703 3.185 1.000 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 2.446 3.942 -0.563 0.00 0.00 +0.141 A ATOM 23 S LIG 1 3.428 5.240 -1.111 0.00 0.00 -0.069 S ATOM 24 C LIG 1 2.490 5.330 -2.543 0.00 0.00 +0.067 A ATOM 25 C LIG 1 1.506 4.367 -2.512 0.00 0.00 +0.120 A ATOM 26 N LIG 1 1.480 3.577 -1.378 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 2.004 -2.025 0.238 0.00 0.00 -0.081 S BRANCH 27 28 ATOM 28 C LIG 1 3.776 -1.615 0.210 0.00 0.00 +0.112 C BRANCH 28 29 ATOM 29 C LIG 1 4.623 -2.848 -0.026 0.00 0.00 -0.034 A ATOM 30 C LIG 1 4.997 -3.276 -1.319 0.00 0.00 -0.046 A ATOM 31 C LIG 1 4.592 -2.521 -2.557 0.00 0.00 +0.044 C ATOM 32 C LIG 1 5.780 -4.435 -1.458 0.00 0.00 +0.003 A ATOM 33 C LIG 1 6.176 -5.171 -0.342 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.800 -4.758 0.931 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.029 -3.608 1.089 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10