REMARK Name = BDB058325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.233 2.797 -1.657 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.100 2.361 -0.391 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.402 1.997 -0.107 0.00 0.00 +0.258 A ATOM 4 O LIG 1 1.801 1.681 1.014 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.358 1.986 -1.244 0.00 0.00 +0.049 A ATOM 6 C LIG 1 1.897 2.399 -2.435 0.00 0.00 +0.049 A ATOM 7 C LIG 1 2.726 2.403 -3.693 0.00 0.00 +0.066 C ATOM 8 N LIG 1 0.613 2.828 -2.636 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -1.673 3.227 -1.938 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 -1.893 3.963 -3.264 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 -1.871 6.337 -2.316 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -1.284 5.368 -3.331 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 -0.862 2.255 0.708 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 -1.725 1.012 0.619 0.00 0.00 -0.028 A ATOM 15 C LIG 1 -1.147 -0.263 0.535 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -1.948 -1.406 0.464 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -3.347 -1.307 0.490 0.00 0.00 -0.017 A ATOM 18 C LIG 1 -3.922 -0.030 0.574 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -3.123 1.114 0.647 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 -4.186 -2.514 0.440 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -5.014 -2.942 1.502 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -5.843 -4.067 1.338 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -5.838 -4.789 0.145 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -5.012 -4.391 -0.898 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -4.199 -3.265 -0.753 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -5.081 -2.280 2.821 0.00 0.00 +0.183 A ATOM 27 N LIG 1 -4.016 -1.683 3.372 0.00 0.00 -0.271 N ATOM 28 H LIG 1 -3.084 -1.569 3.012 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -4.412 -1.192 4.555 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -3.721 -0.560 5.337 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -5.732 -1.516 4.739 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -6.133 -2.239 3.571 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 3.737 1.493 -0.912 0.00 0.00 +0.163 C BRANCH 33 34 ATOM 34 C LIG 1 3.705 0.003 -0.624 0.00 0.00 +0.312 C ATOM 35 O LIG 1 2.831 -0.775 -0.984 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 4.834 -0.349 0.058 0.00 0.00 -0.461 OA BRANCH 36 37 ATOM 37 C LIG 1 4.937 -1.734 0.436 0.00 0.00 +0.176 C ATOM 38 C LIG 1 6.419 -2.034 0.674 0.00 0.00 +0.044 C ATOM 39 C LIG 1 6.633 -3.450 1.199 0.00 0.00 +0.004 C ATOM 40 C LIG 1 5.810 -3.711 2.457 0.00 0.00 +0.000 C ATOM 41 C LIG 1 4.331 -3.405 2.238 0.00 0.00 +0.004 C ATOM 42 C LIG 1 4.122 -1.989 1.709 0.00 0.00 +0.044 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 11