REMARK Name = BDB000030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.334 -1.031 -1.841 0.00 0.00 +0.044 A ATOM 2 C LIG 1 1.664 -1.002 -1.442 0.00 0.00 +0.071 A ATOM 3 C LIG 1 2.263 -0.490 -0.209 0.00 0.00 +0.256 C ATOM 4 N LIG 1 3.607 -0.729 -0.290 0.00 0.00 -0.222 N ATOM 5 C LIG 1 3.942 -1.285 -1.495 0.00 0.00 +0.255 C ATOM 6 O LIG 1 5.043 -1.579 -1.919 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 1.631 0.050 0.680 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 2.695 -1.488 -2.227 0.00 0.00 +0.051 A ATOM 9 C LIG 1 2.470 -2.045 -3.468 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.144 -2.111 -3.899 0.00 0.00 +0.003 A ATOM 11 C LIG 1 0.093 -1.613 -3.095 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 4.599 -0.261 0.666 0.00 0.00 +0.171 C ATOM 13 C LIG 1 4.780 1.252 0.507 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.489 1.874 -0.513 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 5.359 1.898 1.577 0.00 0.00 -0.255 N ATOM 16 H LIG 1 5.486 2.896 1.472 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 5.615 1.391 2.827 0.00 0.00 +0.219 C ATOM 18 O LIG 1 6.042 2.110 3.725 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 5.399 -0.093 3.012 0.00 0.00 +0.098 C ATOM 20 C LIG 1 4.278 -0.603 2.119 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -0.671 -0.508 -1.016 0.00 0.00 -0.313 N ATOM 22 H LIG 1 -0.339 -0.300 -0.069 0.00 0.00 +0.152 HD BRANCH 21 24 ATOM 23 C LIG 1 -2.905 0.107 -0.223 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -1.944 0.057 -1.270 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -2.298 0.520 -2.551 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -3.587 1.032 -2.789 0.00 0.00 +0.021 A ATOM 27 C LIG 1 -4.272 1.579 -3.895 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -5.526 1.932 -3.602 0.00 0.00 -0.179 NA ATOM 29 N LIG 1 -5.645 1.613 -2.297 0.00 0.00 -0.267 N ATOM 30 C LIG 1 -6.891 1.869 -1.614 0.00 0.00 +0.173 C ATOM 31 C LIG 1 -4.508 1.069 -1.751 0.00 0.00 +0.069 A ATOM 32 C LIG 1 -4.199 0.619 -0.462 0.00 0.00 +0.038 A BRANCH 23 38 ATOM 33 C LIG 1 -0.706 0.729 4.228 0.00 0.00 +0.065 C ATOM 34 C LIG 1 -1.539 -0.083 3.283 0.00 0.00 +0.039 A ATOM 35 N LIG 1 -1.967 -1.293 3.712 0.00 0.00 -0.260 NA ATOM 36 C LIG 1 -2.703 -2.030 2.853 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -3.036 -1.620 1.574 0.00 0.00 +0.028 A ATOM 38 C LIG 1 -2.593 -0.371 1.135 0.00 0.00 -0.013 A ATOM 39 C LIG 1 -1.835 0.410 2.016 0.00 0.00 +0.031 A ENDBRANCH 23 38 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 4