REMARK Name = BDB034341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.486 0.150 1.101 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.599 0.976 2.232 0.00 0.00 +0.037 A ATOM 3 C LIG 1 1.507 1.359 3.003 0.00 0.00 +0.073 A ATOM 4 C LIG 1 0.221 0.896 2.648 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.865 1.301 3.469 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.626 2.161 4.540 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.671 2.551 4.795 0.00 0.00 +0.113 A ATOM 8 C LIG 1 0.094 0.070 1.506 0.00 0.00 +0.012 A ATOM 9 N LIG 1 1.729 2.166 4.054 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 1.209 -0.295 0.749 0.00 0.00 +0.009 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 5.976 -0.958 -1.218 0.00 0.00 -0.042 A ATOM 12 C LIG 1 5.697 0.382 -0.911 0.00 0.00 +0.005 A ATOM 13 C LIG 1 4.569 0.738 -0.158 0.00 0.00 +0.009 A ATOM 14 C LIG 1 3.670 -0.228 0.312 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.940 -1.566 0.002 0.00 0.00 +0.009 A ATOM 16 C LIG 1 5.068 -1.924 -0.747 0.00 0.00 +0.005 A BRANCH 11 18 ATOM 17 C LIG 1 8.074 -2.353 -1.195 0.00 0.00 +0.015 C ATOM 18 C LIG 1 7.208 -1.387 -2.033 0.00 0.00 -0.013 C ATOM 19 C LIG 1 8.118 -0.211 -2.455 0.00 0.00 +0.015 C ATOM 20 C LIG 1 6.754 -2.101 -3.324 0.00 0.00 +0.015 C ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 5 21 ATOM 21 N LIG 1 -2.216 0.943 3.203 0.00 0.00 -0.343 N ATOM 22 H LIG 1 -2.228 0.024 2.764 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.857 1.910 2.300 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 -4.339 1.577 2.115 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 -4.621 0.203 1.495 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 N LIG 1 -3.913 -0.078 0.244 0.00 0.00 -0.312 NA ATOM 27 H LIG 1 -4.105 -1.045 -0.029 0.00 0.00 +0.122 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.316 0.767 -0.887 0.00 0.00 +0.120 C BRANCH 28 29 ATOM 29 C LIG 1 -5.740 0.570 -1.328 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -6.187 -0.629 -1.863 0.00 0.00 +0.171 A ATOM 31 O LIG 1 -5.433 -1.747 -2.061 0.00 0.00 -0.452 OA ATOM 32 C LIG 1 -6.411 -2.643 -2.628 0.00 0.00 +0.466 C ATOM 33 O LIG 1 -7.724 -2.060 -2.744 0.00 0.00 -0.453 OA ATOM 34 C LIG 1 -7.495 -0.814 -2.251 0.00 0.00 +0.167 A ATOM 35 C LIG 1 -8.438 0.185 -2.135 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -8.025 1.408 -1.606 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -6.689 1.600 -1.207 0.00 0.00 +0.009 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 5 21 TORSDOF 9