REMARK Name = BDB035214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -8.385 -0.797 0.029 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -6.906 -1.057 -0.170 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -5.959 -0.099 0.131 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -4.596 -0.378 -0.050 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -3.709 0.452 0.159 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -4.224 -1.716 -0.565 0.00 0.00 +0.086 A ATOM 7 C LIG 1 -5.282 -2.574 -0.860 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -5.016 -3.844 -1.383 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -3.706 -4.258 -1.607 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.650 -3.396 -1.312 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -2.883 -2.107 -0.800 0.00 0.00 +0.042 A ATOM 12 N LIG 1 -6.617 -2.221 -0.656 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -6.270 1.268 0.602 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -6.886 1.296 2.005 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -6.833 0.362 2.799 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -7.512 2.472 2.354 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -7.950 2.475 3.267 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -7.878 3.502 1.522 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -8.659 4.373 1.894 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -7.246 3.516 0.150 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -7.075 2.105 -0.394 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 -1.783 -1.275 -0.491 0.00 0.00 -0.343 N ATOM 23 H LIG 1 -2.127 -0.389 -0.095 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.840 -1.014 -1.579 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 0.552 -1.547 -1.237 0.00 0.00 +0.019 C BRANCH 25 26 ATOM 26 C LIG 1 1.204 -0.795 -0.069 0.00 0.00 +0.002 C BRANCH 26 27 ATOM 27 C LIG 1 2.601 -1.327 0.287 0.00 0.00 +0.001 C BRANCH 27 28 ATOM 28 C LIG 1 3.665 -1.179 -0.810 0.00 0.00 +0.015 C BRANCH 28 29 ATOM 29 C LIG 1 3.970 0.263 -1.225 0.00 0.00 +0.081 C BRANCH 29 30 ATOM 30 N LIG 1 4.434 1.160 -0.168 0.00 0.00 -0.310 NA ATOM 31 H LIG 1 4.339 2.115 -0.523 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 5.788 0.975 0.344 0.00 0.00 +0.022 C ATOM 33 C LIG 1 5.873 0.008 1.554 0.00 0.00 +0.026 C ATOM 34 C LIG 1 7.372 -0.306 1.586 0.00 0.00 -0.009 C ATOM 35 C LIG 1 7.577 -0.704 0.123 0.00 0.00 +0.009 C ATOM 36 C LIG 1 8.177 0.984 1.893 0.00 0.00 +0.007 C ATOM 37 C LIG 1 7.820 2.120 0.898 0.00 0.00 -0.009 C ATOM 38 C LIG 1 7.999 1.638 -0.541 0.00 0.00 +0.009 C ATOM 39 C LIG 1 6.962 0.504 -0.608 0.00 0.00 +0.010 C ATOM 40 C LIG 1 6.307 2.339 0.892 0.00 0.00 +0.026 C ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 10