REMARK Name = BDB011006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.199 -2.273 -0.003 0.00 0.00 +0.066 A ATOM 2 N LIG 1 -1.986 -1.781 -0.325 0.00 0.00 -0.230 NA ATOM 3 C LIG 1 -1.815 -0.452 -0.469 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -2.898 0.409 -0.280 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.188 -0.065 0.054 0.00 0.00 -0.028 A ATOM 6 C LIG 1 -4.303 -1.454 0.193 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.520 0.041 -0.834 0.00 0.00 -0.251 N ATOM 8 C LIG 1 0.616 -0.715 -0.527 0.00 0.00 +0.267 A ATOM 9 O LIG 1 0.662 -1.752 0.134 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 1.910 -0.165 -0.989 0.00 0.00 +0.066 A ATOM 11 C LIG 1 1.908 1.066 -1.637 0.00 0.00 +0.078 A ATOM 12 C LIG 1 3.121 1.609 -2.063 0.00 0.00 +0.029 A ATOM 13 C LIG 1 4.322 0.927 -1.843 0.00 0.00 +0.007 A ATOM 14 C LIG 1 4.329 -0.313 -1.189 0.00 0.00 -0.033 A ATOM 15 N LIG 1 0.729 1.775 -1.886 0.00 0.00 -0.237 NA ATOM 16 C LIG 1 3.110 -0.856 -0.763 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -0.383 1.242 -1.496 0.00 0.00 +0.209 A BRANCH 14 18 ATOM 18 C LIG 1 5.630 -1.052 -0.953 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 6.578 -0.302 -0.113 0.00 0.00 -0.298 NA ATOM 20 C LIG 1 6.073 -0.132 1.264 0.00 0.00 +0.088 C ATOM 21 C LIG 1 7.144 0.292 2.297 0.00 0.00 +0.000 C ATOM 22 C LIG 1 7.543 -0.867 3.217 0.00 0.00 +0.009 C ATOM 23 C LIG 1 8.365 0.899 1.604 0.00 0.00 +0.006 C ATOM 24 C LIG 1 8.944 -0.024 0.530 0.00 0.00 +0.016 C ATOM 25 C LIG 1 7.897 -0.932 -0.124 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 5 26 ATOM 26 C LIG 1 -5.412 0.964 0.257 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -6.765 0.475 0.884 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -6.207 0.879 2.270 0.00 0.00 -0.012 C ATOM 29 C LIG 1 -7.201 1.451 3.259 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -5.311 1.897 1.522 0.00 0.00 +0.022 C BRANCH 26 31 ATOM 31 C LIG 1 -5.625 1.780 -1.078 0.00 0.00 +0.144 A ATOM 32 N LIG 1 -6.263 1.372 -2.217 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -6.912 0.115 -2.462 0.00 0.00 +0.151 C ATOM 34 C LIG 1 -6.140 2.398 -3.103 0.00 0.00 +0.224 A ATOM 35 N LIG 1 -5.457 3.374 -2.551 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -5.125 2.982 -1.277 0.00 0.00 -0.134 NA ENDBRANCH 26 31 ENDBRANCH 5 26 BRANCH 1 38 ATOM 37 C LIG 1 -4.306 -4.527 0.152 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -3.227 -3.732 0.153 0.00 0.00 +0.020 C ENDBRANCH 1 38 TORSDOF 6