REMARK Name = BDB039121 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.269 1.297 0.106 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.074 1.395 -0.584 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.896 0.643 -0.154 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.735 0.686 -1.115 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.789 1.421 -2.321 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.705 1.417 -3.209 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.528 0.720 -2.922 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.472 0.017 -1.711 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.509 -0.750 -1.097 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.036 -1.263 0.069 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.254 -0.790 0.255 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.050 2.166 -2.682 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.545 -0.014 -0.830 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.848 2.548 -1.439 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.232 2.034 -0.080 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.619 -2.230 1.023 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.847 -1.573 2.400 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.260 -1.906 3.395 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.376 -3.413 3.635 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.036 -4.258 2.429 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.215 -3.526 1.117 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.478 0.152 1.755 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.261 0.290 1.022 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.843 -0.954 -1.656 0.00 0.00 +0.086 C ATOM 25 C LIG 1 -2.018 -2.380 -2.191 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -3.024 -0.534 -0.745 0.00 0.00 +0.029 C BRANCH 26 27 ATOM 27 C LIG 1 -2.965 0.904 -0.168 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.160 1.250 0.770 0.00 0.00 +0.101 C ATOM 29 C LIG 1 -5.285 1.966 0.015 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -4.814 3.315 -0.531 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -3.328 3.331 -0.887 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -2.831 1.950 -1.301 0.00 0.00 +0.004 C BRANCH 28 33 ATOM 33 C LIG 1 -4.614 0.083 1.634 0.00 0.00 +0.308 C ATOM 34 O LIG 1 -4.028 -0.252 2.654 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.669 -0.618 1.170 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -6.062 -0.299 0.340 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7