REMARK Name = BDB010886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.575 -0.265 -0.142 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.249 0.059 0.133 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.209 1.403 0.469 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -1.499 1.848 0.236 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -1.907 3.118 0.373 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -0.931 3.940 0.769 0.00 0.00 +0.220 A ATOM 7 N LIG 1 0.348 3.611 1.047 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 0.735 2.321 0.919 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -2.317 0.830 -0.133 0.00 0.00 -0.210 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.299 5.362 0.929 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -0.297 6.187 1.335 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -0.885 7.410 1.402 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -0.340 8.449 1.729 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -2.189 7.232 1.033 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -2.891 7.958 0.982 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -2.452 5.933 0.733 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 2.107 2.029 1.306 0.00 0.00 +0.004 A ATOM 18 C LIG 1 3.180 2.441 0.501 0.00 0.00 +0.030 A ATOM 19 C LIG 1 4.493 2.148 0.870 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 5.792 2.626 -0.152 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 4.761 1.463 2.053 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.707 1.071 2.877 0.00 0.00 +0.002 A ATOM 23 C LIG 1 2.390 1.356 2.508 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -2.614 -1.661 -1.911 0.00 0.00 +0.050 C ATOM 25 C LIG 1 -2.176 -1.637 -0.437 0.00 0.00 +0.123 C BRANCH 25 26 ATOM 26 C LIG 1 -3.368 -1.917 0.541 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -2.918 -1.859 2.027 0.00 0.00 +0.007 C ATOM 28 C LIG 1 -3.828 -2.626 2.991 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -5.261 -2.686 2.491 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -5.354 -3.394 1.142 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.092 -3.251 0.283 0.00 0.00 +0.007 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 O LIG 1 -1.183 -2.647 -0.260 0.00 0.00 -0.381 OA ATOM 33 H LIG 1 -1.569 -3.490 -0.553 0.00 0.00 +0.211 HD ENDBRANCH 25 32 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 0.900 -0.827 0.039 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.319 -1.203 -1.400 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.508 -2.186 -1.373 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.851 -1.472 -1.496 0.00 0.00 +0.003 C ATOM 38 C LIG 1 3.972 -0.683 -2.813 0.00 0.00 -0.014 C ATOM 39 C LIG 1 4.755 -1.469 -3.866 0.00 0.00 +0.007 C ATOM 40 C LIG 1 2.603 -0.264 -3.377 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.618 0.044 -2.256 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7