REMARK Name = BDB000132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.757 -1.154 -1.912 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -3.599 -0.076 -2.225 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -3.134 1.230 -2.041 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.867 1.499 -1.541 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -1.029 0.430 -1.201 0.00 0.00 +0.044 A ATOM 6 C LIG 1 0.233 0.790 -0.684 0.00 0.00 +0.134 A ATOM 7 N LIG 1 0.613 2.073 -0.561 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -0.271 3.003 -0.928 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -1.499 2.775 -1.403 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -1.483 -0.899 -1.400 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -2.379 -3.510 -2.053 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -3.273 -2.408 -2.118 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 1.127 -0.233 -0.265 0.00 0.00 -0.297 N ATOM 14 H LIG 1 0.646 -0.830 0.401 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 2.494 -0.105 0.033 0.00 0.00 +0.069 A ATOM 16 C LIG 1 3.345 0.842 -0.502 0.00 0.00 +0.139 A ATOM 17 N LIG 1 4.677 0.900 -0.268 0.00 0.00 -0.221 NA ATOM 18 C LIG 1 5.196 -0.038 0.525 0.00 0.00 +0.222 A ATOM 19 N LIG 1 4.485 -1.036 1.071 0.00 0.00 -0.221 NA ATOM 20 C LIG 1 3.159 -1.046 0.799 0.00 0.00 +0.139 A BRANCH 18 21 ATOM 21 N LIG 1 6.545 -0.076 0.838 0.00 0.00 -0.250 N ATOM 22 H LIG 1 6.773 -0.838 1.455 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 7.490 0.845 0.465 0.00 0.00 +0.250 C ATOM 24 O LIG 1 7.312 1.881 -0.162 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 8.874 0.536 0.924 0.00 0.00 +0.038 A ATOM 26 C LIG 1 9.717 1.601 1.260 0.00 0.00 +0.028 A ATOM 27 C LIG 1 11.022 1.354 1.695 0.00 0.00 +0.021 A ATOM 28 BR LIG 1 12.095 2.856 2.143 0.00 0.00 -0.050 Br ATOM 29 C LIG 1 11.508 0.040 1.792 0.00 0.00 -0.036 A ATOM 30 C LIG 1 12.907 -0.268 2.251 0.00 0.00 +0.045 C ATOM 31 C LIG 1 10.659 -1.019 1.433 0.00 0.00 +0.005 A ATOM 32 C LIG 1 9.353 -0.776 0.999 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 33 ATOM 33 O LIG 1 -4.836 -0.408 -2.712 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.801 0.610 -2.968 0.00 0.00 +0.230 C BRANCH 34 35 ATOM 35 C LIG 1 -6.531 1.045 -1.696 0.00 0.00 +0.056 C BRANCH 35 36 ATOM 36 C LIG 1 -7.194 -0.144 -0.988 0.00 0.00 +0.088 C BRANCH 36 37 ATOM 37 N LIG 1 -8.043 0.274 0.142 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -8.847 -0.876 0.619 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -9.702 -0.502 1.839 0.00 0.00 +0.175 C ATOM 40 O LIG 1 -8.884 -0.028 2.916 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 -8.136 1.118 2.489 0.00 0.00 +0.175 C ATOM 42 C LIG 1 -7.246 0.787 1.279 0.00 0.00 +0.112 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 10