REMARK Name = BDB028427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.601 0.390 -2.515 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.204 0.311 -2.391 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -0.578 1.472 -2.470 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.054 2.705 -2.639 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.757 3.932 -2.711 0.00 0.00 +0.272 A ATOM 6 N LIG 1 -2.115 3.763 -2.619 0.00 0.00 -0.242 N ATOM 7 H LIG 1 -2.689 4.600 -2.669 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 -2.767 2.581 -2.474 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 -0.241 5.035 -2.848 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 1.448 2.791 -2.745 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -2.064 1.486 -2.400 0.00 0.00 +0.086 A ATOM 12 C LIG 1 2.219 1.631 -2.693 0.00 0.00 +0.009 A ENDROOT BRANCH 1 18 ATOM 13 C LIG 1 2.635 -1.627 -1.403 0.00 0.00 +0.077 A ATOM 14 N LIG 1 3.488 -2.610 -1.863 0.00 0.00 -0.266 N ATOM 15 C LIG 1 4.109 -3.676 -1.111 0.00 0.00 +0.173 C ATOM 16 N LIG 1 3.800 -2.489 -3.168 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 3.160 -1.385 -3.549 0.00 0.00 +0.143 A ATOM 18 C LIG 1 2.408 -0.811 -2.502 0.00 0.00 +0.027 A BRANCH 13 22 ATOM 19 C LIG 1 2.788 0.442 3.238 0.00 0.00 +0.046 C ATOM 20 C LIG 1 2.236 -0.540 2.232 0.00 0.00 -0.014 A ATOM 21 C LIG 1 2.708 -0.591 0.897 0.00 0.00 +0.065 A ATOM 22 C LIG 1 2.168 -1.525 -0.017 0.00 0.00 +0.018 A ATOM 23 C LIG 1 1.154 -2.394 0.401 0.00 0.00 +0.013 A ATOM 24 C LIG 1 0.697 -2.362 1.715 0.00 0.00 +0.021 A ATOM 25 C LIG 1 1.235 -1.450 2.623 0.00 0.00 +0.045 A ATOM 26 CL LIG 1 0.626 -1.492 4.241 0.00 0.00 -0.083 Cl BRANCH 21 27 ATOM 27 C LIG 1 3.758 0.293 0.462 0.00 0.00 +0.100 C ATOM 28 N LIG 1 4.609 1.008 0.127 0.00 0.00 -0.191 NA ENDBRANCH 21 27 ENDBRANCH 13 22 ENDBRANCH 1 18 BRANCH 11 29 ATOM 29 C LIG 1 -2.857 0.188 -2.242 0.00 0.00 +0.165 C BRANCH 29 30 ATOM 30 N LIG 1 -3.566 0.260 -0.985 0.00 0.00 -0.275 N ATOM 31 H LIG 1 -4.297 0.953 -0.889 0.00 0.00 +0.152 HD ATOM 32 C LIG 1 -2.971 -0.101 0.183 0.00 0.00 +0.401 C ATOM 33 O LIG 1 -1.909 -0.699 0.262 0.00 0.00 -0.226 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.724 0.349 1.210 0.00 0.00 -0.445 OA BRANCH 34 35 ATOM 35 C LIG 1 -3.279 0.198 2.582 0.00 0.00 +0.107 C ATOM 36 C LIG 1 -3.153 -1.279 2.969 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -1.980 0.974 2.824 0.00 0.00 +0.055 C ATOM 38 C LIG 1 -4.393 0.832 3.429 0.00 0.00 +0.055 C ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 29 30 ENDBRANCH 11 29 TORSDOF 7