REMARK Name = BDB034355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.270 0.985 -0.768 0.00 0.00 -0.343 N ATOM 2 H LIG 1 0.122 0.403 -1.503 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.624 1.139 0.305 0.00 0.00 +0.038 A ATOM 4 C LIG 1 2.031 1.189 0.067 0.00 0.00 +0.021 A ATOM 5 C LIG 1 2.888 1.367 1.179 0.00 0.00 +0.073 A ATOM 6 C LIG 1 4.263 1.392 0.982 0.00 0.00 +0.032 A ATOM 7 C LIG 1 4.848 1.257 -0.285 0.00 0.00 -0.045 A ATOM 8 C LIG 1 4.011 1.110 -1.388 0.00 0.00 +0.004 A ATOM 9 N LIG 1 2.438 1.526 2.431 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 1.107 1.540 2.620 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.626 1.077 -1.215 0.00 0.00 +0.012 A ATOM 12 C LIG 1 0.180 1.368 1.609 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 6.347 1.293 -0.448 0.00 0.00 +0.038 C BRANCH 13 14 ATOM 14 C LIG 1 7.088 -0.047 -0.364 0.00 0.00 -0.007 C ATOM 15 C LIG 1 6.937 -0.817 0.946 0.00 0.00 +0.004 C ATOM 16 C LIG 1 7.506 -2.197 0.624 0.00 0.00 +0.000 C ATOM 17 C LIG 1 7.345 -2.378 -0.887 0.00 0.00 +0.000 C ATOM 18 C LIG 1 6.692 -1.097 -1.400 0.00 0.00 +0.004 C ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.699 0.742 -0.583 0.00 0.00 +0.103 C BRANCH 19 20 ATOM 20 C LIG 1 -1.971 -0.705 -0.174 0.00 0.00 +0.034 C BRANCH 20 21 ATOM 21 C LIG 1 -3.445 -0.980 0.140 0.00 0.00 +0.083 C BRANCH 21 22 ATOM 22 N LIG 1 -4.326 -0.916 -1.022 0.00 0.00 -0.312 NA ATOM 23 H LIG 1 -3.813 -1.076 -1.885 0.00 0.00 +0.122 HD BRANCH 22 24 ATOM 24 C LIG 1 -5.129 0.301 -1.130 0.00 0.00 +0.120 C BRANCH 24 32 ATOM 25 C LIG 1 -7.315 1.153 1.904 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -8.468 0.407 1.652 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -8.503 -0.346 0.499 0.00 0.00 +0.167 A ATOM 28 O LIG 1 -9.546 -1.123 0.099 0.00 0.00 -0.453 OA ATOM 29 C LIG 1 -9.021 -1.667 -1.128 0.00 0.00 +0.466 C ATOM 30 O LIG 1 -7.711 -1.170 -1.463 0.00 0.00 -0.452 OA ATOM 31 C LIG 1 -7.447 -0.377 -0.387 0.00 0.00 +0.171 A ATOM 32 C LIG 1 -6.285 0.346 -0.169 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -6.235 1.123 1.003 0.00 0.00 +0.009 A ENDBRANCH 24 32 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 9