REMARK Name = BDB010367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.300 -0.341 -0.365 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.988 -0.006 -0.648 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.208 -1.118 -0.409 0.00 0.00 +0.129 A ATOM 4 C LIG 1 1.116 -2.061 0.045 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.799 -3.316 0.399 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -0.510 -3.556 0.266 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -1.466 -2.715 -0.168 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.140 -1.456 -0.524 0.00 0.00 +0.149 A ATOM 9 N LIG 1 2.382 -1.571 0.081 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.940 -4.918 0.647 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.018 -5.807 1.051 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.973 -5.666 1.131 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -0.670 -6.946 1.327 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -0.167 -7.986 1.719 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.008 -6.746 1.092 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.144 -5.392 0.644 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 3.323 0.545 -0.521 0.00 0.00 -0.297 N ATOM 18 C LIG 1 3.909 0.597 -1.862 0.00 0.00 +0.132 C BRANCH 17 19 ATOM 19 C LIG 1 4.324 0.574 0.577 0.00 0.00 +0.184 C BRANCH 19 24 ATOM 20 C LIG 1 6.929 -3.824 0.906 0.00 0.00 +0.069 C ATOM 21 C LIG 1 6.356 -2.470 1.059 0.00 0.00 +0.081 A ATOM 22 N LIG 1 6.607 -1.751 2.159 0.00 0.00 -0.083 NA ATOM 23 O LIG 1 5.884 -0.582 2.011 0.00 0.00 -0.358 OA ATOM 24 C LIG 1 5.202 -0.604 0.829 0.00 0.00 +0.155 A ATOM 25 C LIG 1 5.490 -1.781 0.180 0.00 0.00 +0.072 A ENDBRANCH 19 24 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 26 ATOM 26 N LIG 1 -2.119 -0.592 -0.997 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.928 0.376 -0.793 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.527 -0.972 -0.807 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -3.969 -1.887 -1.952 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -4.376 0.316 -0.714 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.582 1.208 -1.968 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -6.008 0.643 -2.092 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -5.919 0.200 -0.620 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 0.518 1.293 -1.097 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.113 2.144 0.023 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.965 3.260 -0.597 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.585 4.158 0.469 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.522 4.752 1.403 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -1.175 5.607 2.491 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.330 3.641 2.027 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.950 2.738 0.962 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9