REMARK Name = BDB055686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.271 -3.305 -1.078 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -1.413 -2.205 -1.095 0.00 0.00 -0.316 N ATOM 3 C LIG 1 -2.002 -1.227 -0.318 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -3.168 -1.807 0.111 0.00 0.00 +0.096 A ATOM 5 C LIG 1 -4.065 -1.096 0.933 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.770 0.172 1.268 0.00 0.00 +0.091 A ATOM 7 N LIG 1 -2.596 0.798 0.830 0.00 0.00 -0.309 N ATOM 8 C LIG 1 -1.624 0.124 0.044 0.00 0.00 +0.277 A ATOM 9 O LIG 1 -0.567 0.653 -0.294 0.00 0.00 -0.265 OA ATOM 10 N LIG 1 -3.341 -3.067 -0.339 0.00 0.00 -0.232 NA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -0.158 -2.138 -1.825 0.00 0.00 +0.120 C ATOM 12 C LIG 1 1.030 -1.765 -0.982 0.00 0.00 -0.021 A ATOM 13 C LIG 1 1.855 -0.874 -1.678 0.00 0.00 -0.042 A ATOM 14 C LIG 1 3.004 -0.365 -1.099 0.00 0.00 +0.012 A ATOM 15 C LIG 1 3.331 -0.749 0.213 0.00 0.00 -0.017 A ATOM 16 C LIG 1 2.522 -1.693 0.883 0.00 0.00 +0.009 A ATOM 17 C LIG 1 1.329 -0.601 -3.053 0.00 0.00 +0.038 C ATOM 18 C LIG 1 1.369 -2.207 0.288 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -0.127 -1.076 -2.944 0.00 0.00 +0.034 C BRANCH 15 20 ATOM 20 C LIG 1 4.483 -0.142 0.890 0.00 0.00 -0.007 A ATOM 21 C LIG 1 4.360 0.831 1.912 0.00 0.00 +0.028 A ATOM 22 C LIG 1 5.541 1.325 2.507 0.00 0.00 +0.012 A ATOM 23 C LIG 1 6.805 0.891 2.105 0.00 0.00 +0.001 A ATOM 24 C LIG 1 6.921 -0.054 1.097 0.00 0.00 +0.001 A ATOM 25 C LIG 1 5.771 -0.566 0.497 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 3.088 1.371 2.419 0.00 0.00 +0.180 A ATOM 27 N LIG 1 1.860 1.354 1.803 0.00 0.00 -0.239 N ATOM 28 H LIG 1 1.571 0.972 0.908 0.00 0.00 +0.192 HD ATOM 29 N LIG 1 0.942 1.956 2.576 0.00 0.00 -0.046 NA ATOM 30 N LIG 1 1.600 2.354 3.651 0.00 0.00 -0.023 NA ATOM 31 N LIG 1 2.922 2.009 3.568 0.00 0.00 -0.108 NA ENDBRANCH 21 26 ENDBRANCH 15 20 ENDBRANCH 2 11 BRANCH 1 33 ATOM 32 C LIG 1 -1.150 -5.534 -0.995 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -2.034 -4.594 -1.799 0.00 0.00 +0.071 C ENDBRANCH 1 33 BRANCH 7 34 ATOM 34 C LIG 1 -2.359 2.196 1.191 0.00 0.00 +0.161 C BRANCH 34 35 ATOM 35 C LIG 1 -2.958 3.166 0.185 0.00 0.00 -0.010 A ATOM 36 C LIG 1 -4.213 3.779 0.367 0.00 0.00 +0.057 A ATOM 37 C LIG 1 -4.716 4.656 -0.607 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -3.983 4.929 -1.761 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -2.744 4.328 -1.951 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -2.236 3.455 -0.989 0.00 0.00 +0.006 A BRANCH 36 41 ATOM 41 C LIG 1 -5.013 3.538 1.534 0.00 0.00 +0.099 C ATOM 42 N LIG 1 -5.656 3.325 2.476 0.00 0.00 -0.191 NA ENDBRANCH 36 41 ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 7