REMARK Name = BDB010846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.443 -0.939 1.271 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.052 -0.885 1.354 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.578 -1.259 2.527 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.932 -1.228 2.405 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 2.179 -0.823 1.166 0.00 0.00 +0.150 A ATOM 6 N LIG 1 -0.058 -1.635 3.647 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.389 -1.604 3.499 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.986 -0.495 0.529 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -2.095 -1.290 2.398 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.162 -1.980 4.705 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.504 -2.301 5.831 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.505 -2.311 5.966 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.428 -2.583 6.757 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.211 -2.906 7.913 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.670 -2.445 6.187 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.449 -2.043 4.829 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -2.151 -0.652 0.113 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.677 -0.956 -0.728 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -3.894 -2.362 -0.164 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -3.597 -0.883 0.100 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -4.211 -0.040 -1.023 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -5.759 0.107 -1.033 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -5.544 1.554 -1.524 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -4.167 1.504 -0.835 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 3.571 -0.747 0.548 0.00 0.00 +0.163 C ATOM 26 C LIG 1 4.635 -0.905 1.653 0.00 0.00 +0.056 C BRANCH 25 27 ATOM 27 C LIG 1 3.773 -1.775 -0.562 0.00 0.00 +0.098 A ATOM 28 N LIG 1 2.722 -2.229 -1.347 0.00 0.00 -0.237 NA ATOM 29 C LIG 1 3.241 -3.092 -2.189 0.00 0.00 +0.199 A ATOM 30 N LIG 1 4.589 -3.196 -2.021 0.00 0.00 -0.339 N ATOM 31 C LIG 1 5.466 -4.042 -2.786 0.00 0.00 +0.150 C ATOM 32 C LIG 1 4.953 -2.349 -1.013 0.00 0.00 +0.113 A ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 O LIG 1 3.734 0.588 0.039 0.00 0.00 -0.375 OA ATOM 34 H LIG 1 4.525 0.564 -0.524 0.00 0.00 +0.211 HD ENDBRANCH 25 33 ENDBRANCH 5 25 BRANCH 8 35 ATOM 35 C LIG 1 0.840 0.134 -0.773 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 0.207 1.544 -0.753 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.152 1.951 -2.197 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.265 3.463 -2.338 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.087 4.150 -2.074 0.00 0.00 -0.014 C ATOM 40 C LIG 1 0.865 5.605 -1.655 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.941 3.390 -1.042 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.085 2.603 -0.054 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9