REMARK Name = BDB010634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.082 0.591 -0.453 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.549 1.678 0.114 0.00 0.00 +0.115 A ATOM 3 C LIG 1 0.436 2.256 0.902 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.244 3.320 1.696 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -1.011 3.780 1.660 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -2.034 3.304 0.918 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 1.629 1.616 0.769 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.817 2.244 0.107 0.00 0.00 +0.101 A ATOM 9 C LIG 1 1.418 0.654 -0.096 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 2.329 -0.245 -0.570 0.00 0.00 -0.297 N ATOM 11 C LIG 1 3.349 -0.681 0.419 0.00 0.00 +0.084 C ATOM 12 C LIG 1 4.618 0.190 0.425 0.00 0.00 +0.035 C ATOM 13 C LIG 1 5.715 -0.590 1.146 0.00 0.00 +0.165 C ATOM 14 O LIG 1 6.070 -1.815 0.505 0.00 0.00 -0.379 OA ATOM 15 C LIG 1 5.035 -2.478 -0.217 0.00 0.00 +0.161 C ATOM 16 C LIG 1 5.096 0.664 -0.958 0.00 0.00 +0.009 C ATOM 17 C LIG 1 3.944 1.132 -1.834 0.00 0.00 +0.019 C ATOM 18 C LIG 1 3.633 -2.185 0.282 0.00 0.00 +0.051 C ATOM 19 C LIG 1 2.866 0.059 -1.908 0.00 0.00 +0.108 C ENDBRANCH 9 10 BRANCH 5 20 ATOM 20 C LIG 1 -1.320 4.940 2.522 0.00 0.00 +0.287 A ATOM 21 O LIG 1 -0.285 5.426 3.256 0.00 0.00 -0.385 OA ATOM 22 C LIG 1 -0.828 6.465 3.943 0.00 0.00 +0.436 A ATOM 23 O LIG 1 -0.244 7.189 4.729 0.00 0.00 -0.221 OA ATOM 24 N LIG 1 -2.143 6.526 3.574 0.00 0.00 -0.208 N ATOM 25 H LIG 1 -2.817 7.199 3.912 0.00 0.00 +0.195 HD ATOM 26 N LIG 1 -2.455 5.559 2.672 0.00 0.00 -0.127 NA ENDBRANCH 5 20 BRANCH 8 27 ATOM 27 C LIG 1 -2.941 1.822 -0.718 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -2.911 1.971 -2.114 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -3.992 1.557 -2.893 0.00 0.00 +0.042 A ATOM 30 CL LIG 1 -3.920 1.722 -4.604 0.00 0.00 -0.084 Cl ATOM 31 C LIG 1 -5.124 1.006 -2.298 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -5.180 0.875 -0.912 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -4.099 1.287 -0.129 0.00 0.00 +0.010 A ENDBRANCH 8 27 BRANCH 1 34 ATOM 34 C LIG 1 -0.522 -0.509 -1.183 0.00 0.00 +0.128 C BRANCH 34 39 ATOM 35 C LIG 1 -3.338 -4.955 0.496 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -3.116 -3.451 0.327 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -2.715 -3.100 -1.117 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.205 -2.949 -1.274 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -0.635 -1.825 -0.383 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -1.454 -1.641 0.910 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -2.094 -2.948 1.361 0.00 0.00 +0.003 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 5