REMARK Name = BDB016073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.287 -1.133 0.855 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.445 -2.287 1.145 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.814 -2.177 0.986 0.00 0.00 +0.125 A ATOM 4 N LIG 1 -2.447 -1.057 0.587 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 -1.664 0.009 0.348 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.323 0.010 0.484 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.149 -3.528 1.602 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.199 -4.786 1.153 0.00 0.00 +0.116 A ATOM 9 N LIG 1 0.603 -5.665 1.823 0.00 0.00 -0.274 N ATOM 10 C LIG 1 0.618 -7.102 1.694 0.00 0.00 +0.172 C ATOM 11 N LIG 1 1.452 -5.069 2.678 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 1.169 -3.770 2.550 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 -2.313 1.263 -0.088 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.716 1.368 -0.192 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.349 2.553 -0.606 0.00 0.00 -0.014 A ATOM 16 C LIG 1 -3.558 3.660 -0.929 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -2.170 3.587 -0.838 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -1.558 2.402 -0.422 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 -5.797 2.637 -0.706 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -6.695 1.913 0.053 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -7.940 2.303 -0.346 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -9.204 1.826 0.160 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -7.926 3.239 -1.312 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -6.623 3.440 -1.529 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 1.694 -1.136 0.999 0.00 0.00 -0.325 N ATOM 26 H LIG 1 2.053 -1.985 0.566 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 2.399 0.068 0.536 0.00 0.00 +0.143 C BRANCH 27 33 ATOM 28 C LIG 1 7.255 2.689 -1.341 0.00 0.00 +0.109 C ATOM 29 C LIG 1 6.920 1.240 -1.093 0.00 0.00 +0.212 C ATOM 30 N LIG 1 5.568 0.887 -1.090 0.00 0.00 -0.302 N ATOM 31 C LIG 1 4.503 1.876 -0.918 0.00 0.00 +0.111 C ATOM 32 C LIG 1 3.176 1.400 -1.490 0.00 0.00 +0.061 C ATOM 33 C LIG 1 2.786 0.018 -0.966 0.00 0.00 +0.130 C ATOM 34 F LIG 1 1.699 -0.392 -1.690 0.00 0.00 -0.240 F ATOM 35 C LIG 1 3.920 -0.964 -1.268 0.00 0.00 +0.061 C ATOM 36 C LIG 1 5.258 -0.493 -0.717 0.00 0.00 +0.111 C ATOM 37 O LIG 1 7.821 0.420 -0.915 0.00 0.00 -0.276 OA ENDBRANCH 27 33 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 6