REMARK Name = BDB024677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.628 0.012 -0.497 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.561 -0.859 -0.211 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.749 -2.327 -0.327 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.670 -2.862 0.785 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.453 -3.152 -0.284 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.342 -2.446 -1.025 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.120 -1.124 -0.348 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.827 -0.608 -0.122 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.391 -1.173 -0.418 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.303 -0.305 -0.020 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.711 0.807 0.548 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.658 0.632 0.481 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.747 1.408 0.883 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.029 0.894 0.647 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.238 -0.350 0.036 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.588 1.238 -0.485 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.414 1.967 1.095 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.173 2.163 2.603 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -1.219 3.632 3.028 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -2.290 4.402 2.264 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.040 4.402 0.756 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -1.164 3.242 0.277 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 O LIG 1 -1.485 3.687 4.424 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 -1.477 4.621 4.695 0.00 0.00 +0.210 HD ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.875 0.179 -1.177 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.765 -0.660 -0.856 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.784 -0.509 -0.153 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.140 -1.766 -0.970 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.547 -1.623 -1.551 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.679 -1.521 -0.727 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.951 -1.361 -1.280 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.109 -1.296 -2.662 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.996 -1.394 -3.493 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.723 -1.556 -2.943 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.959 -3.035 -0.131 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -3.865 -3.710 0.339 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.664 -3.381 0.071 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -1.022 -2.700 -0.255 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8