REMARK Name = BDB062707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.389 0.814 -1.393 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.424 1.361 -0.550 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.398 2.549 -0.242 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.623 0.433 -0.023 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.473 0.886 0.995 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.485 0.061 1.504 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.644 -1.222 0.963 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.805 -1.684 -0.063 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -0.771 -0.864 -0.553 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.149 -1.298 -1.665 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.510 -0.631 -1.519 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.053 -3.004 -0.603 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -2.630 -3.419 -1.831 0.00 0.00 +0.068 A ATOM 14 C LIG 1 -3.158 -2.577 -2.932 0.00 0.00 +0.068 C ATOM 15 N LIG 1 -2.657 -4.755 -1.934 0.00 0.00 -0.176 NA ATOM 16 N LIG 1 -2.126 -5.183 -0.775 0.00 0.00 -0.274 N ATOM 17 C LIG 1 -2.007 -6.600 -0.531 0.00 0.00 +0.172 C ATOM 18 C LIG 1 -1.748 -4.173 0.059 0.00 0.00 +0.116 A ENDBRANCH 8 12 BRANCH 1 19 ATOM 19 C LIG 1 2.516 1.642 -1.808 0.00 0.00 +0.143 C BRANCH 19 24 ATOM 20 C LIG 1 5.983 0.454 -0.738 0.00 0.00 +0.124 A ATOM 21 C LIG 1 6.035 0.929 0.578 0.00 0.00 +0.091 A ATOM 22 C LIG 1 4.964 1.637 1.122 0.00 0.00 +0.124 A ATOM 23 C LIG 1 3.832 1.867 0.339 0.00 0.00 +0.051 A ATOM 24 C LIG 1 3.759 1.400 -0.981 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.846 0.689 -1.513 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 7.128 -0.689 -2.484 0.00 0.00 +0.277 C ATOM 27 O LIG 1 7.102 -0.224 -1.141 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 4.898 2.147 2.389 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.035 1.955 3.221 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 C LIG 1 -3.409 0.562 2.593 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.364 1.517 2.072 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -4.242 2.897 2.249 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -3.344 3.505 2.935 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -3.502 4.511 2.875 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -5.306 3.433 1.514 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -5.515 4.840 1.278 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -6.005 2.405 0.892 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -5.438 1.241 1.236 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 7