REMARK Name = BDB000011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.715 0.669 -0.326 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.372 -0.291 -0.418 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.949 -0.285 -0.013 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.994 0.726 0.279 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -2.358 1.792 1.123 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -3.652 1.854 1.676 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -4.347 2.736 2.546 0.00 0.00 +0.068 A ATOM 8 N LIG 1 -5.603 2.330 2.769 0.00 0.00 -0.176 NA ATOM 9 N LIG 1 -5.709 1.195 2.052 0.00 0.00 -0.266 N ATOM 10 C LIG 1 -6.951 0.461 2.064 0.00 0.00 +0.173 C ATOM 11 C LIG 1 -3.835 3.975 3.180 0.00 0.00 +0.068 C ATOM 12 C LIG 1 -4.566 0.855 1.373 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -4.247 -0.223 0.538 0.00 0.00 +0.038 A BRANCH 3 19 ATOM 14 C LIG 1 -0.770 -4.717 -0.817 0.00 0.00 +0.065 C ATOM 15 C LIG 1 -1.586 -3.554 -1.296 0.00 0.00 +0.039 A ATOM 16 N LIG 1 -1.998 -3.571 -2.585 0.00 0.00 -0.260 NA ATOM 17 C LIG 1 -2.719 -2.516 -3.019 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -3.055 -1.433 -2.226 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -2.629 -1.419 -0.897 0.00 0.00 -0.013 A ATOM 20 C LIG 1 -1.884 -2.508 -0.428 0.00 0.00 +0.031 A ENDBRANCH 3 19 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 0.279 1.629 -0.556 0.00 0.00 +0.044 A ATOM 22 C LIG 1 1.617 1.265 -0.624 0.00 0.00 +0.071 A ATOM 23 C LIG 1 2.240 -0.053 -0.501 0.00 0.00 +0.256 C ATOM 24 N LIG 1 3.586 0.123 -0.676 0.00 0.00 -0.222 N ATOM 25 C LIG 1 3.898 1.446 -0.830 0.00 0.00 +0.255 C ATOM 26 O LIG 1 4.991 1.970 -0.931 0.00 0.00 -0.270 OA ATOM 27 O LIG 1 1.626 -1.084 -0.293 0.00 0.00 -0.269 OA ATOM 28 C LIG 1 2.635 2.180 -0.830 0.00 0.00 +0.051 A ATOM 29 C LIG 1 2.389 3.527 -0.987 0.00 0.00 +0.014 A ATOM 30 C LIG 1 1.055 3.934 -0.942 0.00 0.00 +0.003 A ATOM 31 C LIG 1 0.017 2.997 -0.732 0.00 0.00 +0.024 A BRANCH 24 32 ATOM 32 C LIG 1 4.552 -0.948 -0.486 0.00 0.00 +0.171 C ATOM 33 C LIG 1 5.140 -0.853 0.926 0.00 0.00 +0.240 C ATOM 34 O LIG 1 4.577 -0.294 1.866 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 6.338 -1.504 1.118 0.00 0.00 -0.255 N ATOM 36 H LIG 1 6.722 -1.455 2.052 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 7.136 -2.097 0.172 0.00 0.00 +0.219 C ATOM 38 O LIG 1 8.214 -2.598 0.477 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 6.589 -2.155 -1.236 0.00 0.00 +0.098 C ATOM 40 C LIG 1 5.672 -0.975 -1.522 0.00 0.00 +0.041 C ENDBRANCH 24 32 ENDBRANCH 1 21 TORSDOF 4