REMARK Name = BDB052632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.901 -0.650 1.808 0.00 0.00 -0.017 A ATOM 2 C LIG 1 1.616 -0.568 1.232 0.00 0.00 +0.019 A ATOM 3 C LIG 1 0.561 -1.243 1.829 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -0.876 -1.366 1.510 0.00 0.00 +0.048 C ATOM 5 C LIG 1 -1.459 -2.277 2.564 0.00 0.00 +0.249 C ATOM 6 N LIG 1 -0.404 -2.599 3.400 0.00 0.00 -0.281 N ATOM 7 H LIG 1 -0.508 -3.202 4.201 0.00 0.00 +0.155 HD ATOM 8 O LIG 1 -2.607 -2.667 2.675 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.450 -0.729 0.475 0.00 0.00 +0.039 C ATOM 10 C LIG 1 0.777 -2.002 2.979 0.00 0.00 +0.042 A ATOM 11 C LIG 1 2.014 -2.112 3.577 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.077 -1.425 2.982 0.00 0.00 +0.010 A ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 -2.811 -0.717 0.054 0.00 0.00 +0.044 A ATOM 14 C LIG 1 -3.443 0.021 -0.952 0.00 0.00 -0.011 A ATOM 15 C LIG 1 -4.815 -0.371 -0.965 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -5.945 0.040 -1.793 0.00 0.00 +0.165 C ATOM 17 C LIG 1 -7.302 -0.556 -1.417 0.00 0.00 +0.080 C ATOM 18 C LIG 1 -7.184 -1.970 -0.827 0.00 0.00 +0.014 C ATOM 19 C LIG 1 -6.232 -2.022 0.379 0.00 0.00 +0.054 C ATOM 20 O LIG 1 -5.835 0.856 -2.706 0.00 0.00 -0.292 OA ATOM 21 C LIG 1 -4.973 -1.320 0.021 0.00 0.00 +0.027 A ATOM 22 N LIG 1 -3.769 -1.517 0.634 0.00 0.00 -0.358 N ATOM 23 H LIG 1 -3.613 -2.155 1.410 0.00 0.00 +0.166 HD BRANCH 14 24 ATOM 24 C LIG 1 -2.809 1.036 -1.859 0.00 0.00 +0.049 C BRANCH 24 25 ATOM 25 C LIG 1 -2.297 0.408 -3.148 0.00 0.00 +0.125 C BRANCH 25 26 ATOM 26 C LIG 1 -1.557 1.419 -3.970 0.00 0.00 +0.305 C ATOM 27 O LIG 1 -1.889 1.859 -5.057 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 -0.400 1.814 -3.401 0.00 0.00 -0.481 OA ATOM 29 H LIG 1 -0.033 2.451 -4.051 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 14 24 ENDBRANCH 9 13 BRANCH 1 33 ATOM 30 C LIG 1 6.232 1.429 0.048 0.00 0.00 +0.162 A ATOM 31 C LIG 1 5.047 2.125 0.351 0.00 0.00 +0.162 A ATOM 32 C LIG 1 3.970 1.439 0.930 0.00 0.00 +0.058 A ATOM 33 C LIG 1 4.040 0.061 1.202 0.00 0.00 -0.014 A ATOM 34 C LIG 1 5.224 -0.615 0.880 0.00 0.00 +0.012 A ATOM 35 C LIG 1 6.310 0.059 0.311 0.00 0.00 +0.050 A BRANCH 30 37 ATOM 36 C LIG 1 8.507 1.541 -0.672 0.00 0.00 +0.277 C ATOM 37 O LIG 1 7.243 2.170 -0.512 0.00 0.00 -0.491 OA ENDBRANCH 30 37 BRANCH 31 38 ATOM 38 O LIG 1 5.045 3.469 0.067 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 3.814 4.167 0.188 0.00 0.00 +0.277 C ENDBRANCH 31 38 ENDBRANCH 1 33 TORSDOF 8