REMARK Name = BDB058321 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.705 0.948 -0.919 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.773 0.258 0.298 0.00 0.00 +0.006 A ATOM 3 C LIG 1 -1.987 0.131 0.982 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.166 0.687 0.469 0.00 0.00 -0.017 A ATOM 5 C LIG 1 -3.098 1.386 -0.744 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -1.886 1.511 -1.430 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.437 0.553 1.192 0.00 0.00 -0.007 A ATOM 8 C LIG 1 -5.469 -0.320 0.789 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -6.681 -0.371 1.500 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -6.875 0.441 2.617 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -5.865 1.305 3.029 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.660 1.360 2.324 0.00 0.00 +0.009 A BRANCH 8 13 ATOM 13 C LIG 1 -5.315 -1.215 -0.366 0.00 0.00 +0.183 A ATOM 14 N LIG 1 -6.296 -1.307 -1.274 0.00 0.00 -0.271 N ATOM 15 H LIG 1 -7.159 -0.795 -1.337 0.00 0.00 +0.174 HD ATOM 16 C LIG 1 -5.865 -2.160 -2.216 0.00 0.00 +0.440 A ATOM 17 O LIG 1 -6.473 -2.464 -3.231 0.00 0.00 -0.221 OA ATOM 18 O LIG 1 -4.627 -2.626 -1.853 0.00 0.00 -0.295 OA ATOM 19 N LIG 1 -4.298 -1.967 -0.625 0.00 0.00 -0.054 NA ENDBRANCH 8 13 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 0.569 1.090 -1.734 0.00 0.00 +0.161 C BRANCH 20 22 ATOM 21 C LIG 1 2.265 -0.642 -1.125 0.00 0.00 +0.113 A ATOM 22 N LIG 1 1.791 0.651 -1.063 0.00 0.00 -0.292 N ATOM 23 C LIG 1 2.466 1.608 -0.327 0.00 0.00 +0.258 A ATOM 24 O LIG 1 2.082 2.769 -0.186 0.00 0.00 -0.267 OA ATOM 25 C LIG 1 3.724 1.173 0.331 0.00 0.00 +0.049 A ATOM 26 C LIG 1 4.091 -0.109 0.169 0.00 0.00 +0.049 A ATOM 27 C LIG 1 5.365 -0.686 0.734 0.00 0.00 +0.066 C ATOM 28 N LIG 1 3.361 -1.018 -0.547 0.00 0.00 -0.238 NA BRANCH 21 29 ATOM 29 C LIG 1 1.486 -1.673 -1.945 0.00 0.00 +0.074 C BRANCH 29 30 ATOM 30 C LIG 1 1.843 -3.133 -1.656 0.00 0.00 +0.007 C BRANCH 30 32 ATOM 31 C LIG 1 1.667 -5.053 -0.032 0.00 0.00 +0.004 C ATOM 32 C LIG 1 1.301 -3.603 -0.303 0.00 0.00 -0.003 C ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 21 29 BRANCH 25 33 ATOM 33 C LIG 1 4.441 2.236 1.113 0.00 0.00 +0.163 C BRANCH 33 34 ATOM 34 C LIG 1 5.143 3.203 0.178 0.00 0.00 +0.311 C ATOM 35 O LIG 1 5.391 3.007 -1.003 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 5.518 4.315 0.877 0.00 0.00 -0.468 OA ATOM 37 C LIG 1 6.192 5.295 0.087 0.00 0.00 +0.280 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 10