REMARK Name = BDB057451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.135 -0.592 -1.230 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.670 -0.929 0.050 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.671 -0.714 0.440 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -1.050 -1.179 1.842 0.00 0.00 +0.265 C ATOM 5 O LIG 1 -2.299 -0.750 2.405 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 -3.354 -1.381 1.801 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -3.753 -0.988 0.519 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.991 0.097 -0.140 0.00 0.00 -0.000 C ATOM 9 C LIG 1 -3.573 1.318 -0.259 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -4.967 1.689 0.174 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -4.834 -1.633 -0.091 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -5.525 -2.633 0.599 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.141 -2.987 1.896 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -4.055 -2.356 2.503 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -1.566 -0.153 -0.492 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -1.115 0.111 -1.798 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.217 -0.096 -2.159 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 -2.799 2.478 -0.759 0.00 0.00 +0.179 A ATOM 19 N LIG 1 -3.230 3.079 -1.868 0.00 0.00 -0.272 N ATOM 20 H LIG 1 -4.014 2.852 -2.452 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -2.366 4.071 -2.126 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -2.415 4.826 -3.084 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -1.412 4.086 -1.142 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -1.740 3.011 -0.258 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 2.571 -0.810 -1.644 0.00 0.00 +0.158 C BRANCH 25 27 ATOM 26 C LIG 1 3.830 0.898 -0.261 0.00 0.00 +0.111 A ATOM 27 N LIG 1 3.533 -0.401 -0.629 0.00 0.00 -0.323 N ATOM 28 C LIG 1 4.336 -1.251 0.101 0.00 0.00 +0.069 A ATOM 29 C LIG 1 5.099 -0.399 0.892 0.00 0.00 +0.089 A ATOM 30 C LIG 1 6.043 -0.936 1.780 0.00 0.00 +0.030 A ATOM 31 C LIG 1 6.192 -2.326 1.847 0.00 0.00 +0.002 A ATOM 32 C LIG 1 5.416 -3.164 1.047 0.00 0.00 +0.002 A ATOM 33 C LIG 1 4.469 -2.645 0.155 0.00 0.00 +0.028 A ATOM 34 N LIG 1 4.778 0.911 0.656 0.00 0.00 -0.232 NA BRANCH 26 36 ATOM 35 C LIG 1 3.839 3.402 -0.469 0.00 0.00 +0.012 C ATOM 36 C LIG 1 3.134 2.100 -0.821 0.00 0.00 +0.071 C ENDBRANCH 26 36 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 4