REMARK Name = BDB055476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.919 1.681 -0.860 0.00 0.00 +0.215 A ATOM 2 N LIG 1 -0.029 0.980 -0.158 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 -0.482 0.143 0.789 0.00 0.00 +0.127 A ATOM 4 C LIG 1 -1.838 0.040 1.037 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -2.698 0.790 0.256 0.00 0.00 +0.078 A ATOM 6 N LIG 1 -2.238 1.613 -0.708 0.00 0.00 -0.215 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.167 0.763 0.424 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.923 1.935 0.210 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -6.311 1.880 0.383 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -6.985 0.723 0.748 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -8.351 1.109 0.806 0.00 0.00 +0.146 A ATOM 12 N LIG 1 -8.528 2.391 0.502 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 -6.244 -0.452 0.958 0.00 0.00 +0.014 A ATOM 14 N LIG 1 -7.284 2.835 0.258 0.00 0.00 -0.275 N ATOM 15 H LIG 1 -7.162 3.809 0.005 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 -4.848 -0.415 0.790 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 -9.366 0.286 1.114 0.00 0.00 -0.341 N ATOM 18 H LIG 1 -9.267 -0.706 0.937 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -10.288 0.640 0.884 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 3 20 ATOM 20 N LIG 1 0.437 -0.590 1.558 0.00 0.00 -0.313 N ATOM 21 C LIG 1 1.851 -0.222 1.360 0.00 0.00 +0.128 C ATOM 22 C LIG 1 2.477 -0.895 0.114 0.00 0.00 +0.091 C ATOM 23 C LIG 1 2.237 -2.415 0.173 0.00 0.00 +0.025 C ATOM 24 C LIG 1 0.760 -2.742 0.393 0.00 0.00 +0.021 C ATOM 25 C LIG 1 0.215 -2.041 1.637 0.00 0.00 +0.106 C BRANCH 22 26 ATOM 26 N LIG 1 3.908 -0.597 0.011 0.00 0.00 -0.307 N ATOM 27 H LIG 1 4.302 0.053 0.678 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 4.603 -0.808 -1.163 0.00 0.00 +0.244 C ATOM 29 O LIG 1 4.108 -1.307 -2.167 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 6.020 -0.349 -1.178 0.00 0.00 +0.037 A ATOM 31 C LIG 1 6.800 -0.310 -0.015 0.00 0.00 +0.013 A ATOM 32 C LIG 1 8.125 0.127 -0.077 0.00 0.00 +0.001 A ATOM 33 C LIG 1 8.677 0.518 -1.297 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.910 0.465 -2.460 0.00 0.00 +0.001 A ATOM 35 C LIG 1 6.585 0.028 -2.403 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 22 26 ENDBRANCH 3 20 BRANCH 1 36 ATOM 36 N LIG 1 -0.435 2.501 -1.860 0.00 0.00 -0.327 N ATOM 37 H LIG 1 -1.146 2.617 -2.568 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 0.464 2.156 -2.167 0.00 0.00 +0.145 HD ENDBRANCH 1 36 TORSDOF 6