REMARK Name = BDB056928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.235 0.449 2.848 0.00 0.00 +0.217 A ATOM 2 N LIG 1 2.286 1.297 1.811 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 1.148 1.334 1.102 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -0.008 0.625 1.354 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.919 1.010 0.328 0.00 0.00 +0.103 A ATOM 6 N LIG 1 -0.340 1.873 -0.528 0.00 0.00 -0.168 NA ATOM 7 C LIG 1 0.035 -0.223 2.452 0.00 0.00 +0.128 A ATOM 8 N LIG 1 0.908 2.054 -0.035 0.00 0.00 -0.240 N ATOM 9 N LIG 1 1.171 -0.304 3.188 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.300 0.572 0.130 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -2.793 0.355 -1.159 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -4.114 -0.074 -1.359 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -4.993 -0.301 -0.289 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -4.481 -0.059 0.996 0.00 0.00 +0.024 A ATOM 15 C LIG 1 -3.163 0.372 1.209 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 N LIG 1 -6.298 -0.720 -0.482 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -7.025 -1.452 0.569 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -8.078 -2.411 -0.034 0.00 0.00 +0.100 C ATOM 19 N LIG 1 -9.068 -1.787 -0.930 0.00 0.00 -0.313 NA ATOM 20 H LIG 1 -9.860 -1.453 -0.382 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -8.488 -0.634 -1.646 0.00 0.00 +0.100 C ATOM 22 C LIG 1 -6.950 -0.651 -1.801 0.00 0.00 +0.120 C ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 23 C LIG 1 4.610 0.324 2.937 0.00 0.00 +0.128 C ATOM 24 N LIG 1 3.354 0.274 3.654 0.00 0.00 -0.316 N ATOM 25 H LIG 1 3.185 -0.586 4.167 0.00 0.00 +0.149 HD ENDBRANCH 1 24 BRANCH 8 26 ATOM 26 C LIG 1 1.829 2.983 -0.669 0.00 0.00 +0.204 C BRANCH 26 27 ATOM 27 C LIG 1 2.896 2.303 -1.450 0.00 0.00 +0.104 A ATOM 28 N LIG 1 3.574 2.998 -2.426 0.00 0.00 -0.133 NA ATOM 29 N LIG 1 4.510 2.208 -2.933 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 4.444 1.034 -2.281 0.00 0.00 -0.247 N ATOM 31 C LIG 1 3.432 1.034 -1.368 0.00 0.00 +0.135 A BRANCH 30 32 ATOM 32 C LIG 1 5.372 -0.038 -2.593 0.00 0.00 +0.180 C BRANCH 32 33 ATOM 33 C LIG 1 6.191 -0.440 -1.389 0.00 0.00 -0.026 A ATOM 34 C LIG 1 7.101 0.460 -0.812 0.00 0.00 +0.005 A ATOM 35 C LIG 1 7.853 0.090 0.304 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.711 -1.183 0.851 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.815 -2.088 0.284 0.00 0.00 +0.000 A ATOM 38 C LIG 1 6.058 -1.720 -0.830 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7