REMARK Name = BDB028377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.634 -2.033 -0.660 0.00 0.00 +0.078 A ATOM 2 N LIG 1 0.914 -3.180 -1.375 0.00 0.00 -0.266 N ATOM 3 C LIG 1 2.132 -3.498 -2.087 0.00 0.00 +0.173 C ATOM 4 N LIG 1 -0.097 -4.069 -1.392 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -1.070 -3.458 -0.715 0.00 0.00 +0.143 A ATOM 6 C LIG 1 -0.675 -2.196 -0.227 0.00 0.00 +0.027 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 -1.433 -1.220 0.528 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -2.574 -0.637 -0.044 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -3.297 0.330 0.664 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.885 0.697 1.943 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -3.654 1.710 2.683 0.00 0.00 +0.272 A ATOM 12 N LIG 1 -4.747 2.229 2.035 0.00 0.00 -0.242 N ATOM 13 H LIG 1 -5.290 2.932 2.528 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -5.171 1.901 0.784 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 -3.329 2.059 3.811 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -1.753 0.112 2.522 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -4.500 1.006 0.115 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -1.027 -0.845 1.813 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -4.967 0.632 -1.296 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -6.179 1.376 -1.662 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -5.960 2.372 -1.587 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -6.864 1.234 -0.916 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 7 BRANCH 1 30 ATOM 23 C LIG 1 3.600 -0.103 0.591 0.00 0.00 +0.128 A ATOM 24 C LIG 1 3.451 1.151 -0.053 0.00 0.00 +0.025 A ATOM 25 C LIG 1 2.346 1.374 -0.918 0.00 0.00 +0.004 A ATOM 26 C LIG 1 2.230 2.645 -1.539 0.00 0.00 +0.010 A ATOM 27 C LIG 1 3.162 3.660 -1.323 0.00 0.00 +0.001 A ATOM 28 C LIG 1 4.237 3.437 -0.480 0.00 0.00 +0.001 A ATOM 29 C LIG 1 1.411 0.322 -1.122 0.00 0.00 +0.069 A ATOM 30 C LIG 1 1.578 -0.923 -0.483 0.00 0.00 +0.022 A ATOM 31 C LIG 1 4.378 2.199 0.145 0.00 0.00 +0.012 A ATOM 32 C LIG 1 2.670 -1.120 0.371 0.00 0.00 +0.057 A BRANCH 23 34 ATOM 33 C LIG 1 4.832 -1.439 2.158 0.00 0.00 +0.277 C ATOM 34 O LIG 1 4.695 -0.236 1.412 0.00 0.00 -0.494 OA ENDBRANCH 23 34 BRANCH 29 35 ATOM 35 C LIG 1 0.281 0.524 -1.992 0.00 0.00 +0.100 C ATOM 36 N LIG 1 -0.635 0.699 -2.684 0.00 0.00 -0.191 NA ENDBRANCH 29 35 ENDBRANCH 1 30 TORSDOF 6