REMARK Name = BDB010298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.083 -0.491 1.389 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.035 0.044 0.766 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.890 -1.004 0.476 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.156 -2.127 0.825 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.567 -3.392 0.644 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 1.777 -3.446 0.076 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.585 -2.421 -0.249 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 2.183 -1.156 -0.029 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.012 -1.801 1.435 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -5.298 2.290 1.547 0.00 0.00 +0.010 C ATOM 11 C LIG 1 -4.154 1.529 2.220 0.00 0.00 +0.011 C ATOM 12 C LIG 1 -3.157 0.854 1.236 0.00 0.00 +0.109 C ATOM 13 N LIG 1 -2.023 0.275 2.003 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -2.209 0.041 3.443 0.00 0.00 +0.108 C ATOM 15 C LIG 1 -3.622 -0.400 3.801 0.00 0.00 +0.019 C ATOM 16 C LIG 1 -4.699 0.536 3.255 0.00 0.00 +0.007 C BRANCH 12 17 ATOM 17 C LIG 1 -3.827 -0.078 0.222 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -4.301 0.459 -0.992 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -4.939 -0.339 -1.944 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.120 -1.696 -1.703 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.661 -2.251 -0.512 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.025 -1.449 0.439 0.00 0.00 +0.005 A ENDBRANCH 12 17 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 C LIG 1 2.279 -4.812 -0.196 0.00 0.00 +0.220 A ATOM 24 N LIG 1 1.509 -5.867 0.122 0.00 0.00 -0.269 N ATOM 25 H LIG 1 0.593 -5.844 0.538 0.00 0.00 +0.174 HD ATOM 26 C LIG 1 2.191 -6.965 -0.224 0.00 0.00 +0.440 A ATOM 27 O LIG 1 1.813 -8.118 -0.087 0.00 0.00 -0.221 OA ATOM 28 O LIG 1 3.395 -6.579 -0.759 0.00 0.00 -0.295 OA ATOM 29 N LIG 1 3.413 -5.147 -0.723 0.00 0.00 -0.051 NA ENDBRANCH 6 23 BRANCH 8 30 ATOM 30 N LIG 1 3.025 -0.094 -0.297 0.00 0.00 -0.324 N ATOM 31 H LIG 1 2.855 0.700 0.305 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 4.452 -0.252 -0.613 0.00 0.00 +0.072 C ATOM 33 C LIG 1 4.696 -1.043 -1.894 0.00 0.00 +0.028 C BRANCH 32 34 ATOM 34 C LIG 1 5.287 -0.698 0.600 0.00 0.00 +0.009 C ATOM 35 C LIG 1 5.600 -2.188 0.916 0.00 0.00 +0.005 C ATOM 36 C LIG 1 6.992 -1.996 0.296 0.00 0.00 +0.001 C ATOM 37 C LIG 1 6.823 -0.482 0.488 0.00 0.00 +0.005 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 8 30 BRANCH 2 38 ATOM 38 C LIG 1 0.315 1.459 0.592 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 0.484 1.935 -0.869 0.00 0.00 +0.009 C ATOM 40 C LIG 1 1.099 3.350 -0.868 0.00 0.00 +0.005 C ATOM 41 C LIG 1 0.809 4.088 -2.169 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.700 4.324 -2.352 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -1.027 4.516 -3.833 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -1.552 3.204 -1.726 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.813 1.869 -1.694 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 8