REMARK Name = BDB046494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.009 -1.025 0.169 0.00 0.00 -0.304 N ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -1.244 2.490 -0.649 0.00 0.00 -0.016 A ATOM 3 C LIG 1 -1.249 1.933 0.625 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -0.491 0.789 0.890 0.00 0.00 +0.024 A ATOM 5 C LIG 1 0.279 0.165 -0.114 0.00 0.00 +0.031 A ATOM 6 C LIG 1 0.299 0.775 -1.382 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -0.461 1.921 -1.649 0.00 0.00 +0.010 A BRANCH 2 14 ATOM 8 O LIG 1 -5.730 6.838 -2.244 0.00 0.00 -0.248 OA ATOM 9 C LIG 1 -4.643 6.441 -1.825 0.00 0.00 +0.353 C ATOM 10 N LIG 1 -4.450 6.232 -0.512 0.00 0.00 -0.122 NA ATOM 11 C LIG 1 -3.693 5.208 -0.125 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -3.668 4.736 1.017 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -2.807 4.664 -1.181 0.00 0.00 +0.111 C ATOM 14 C LIG 1 -2.050 3.632 -0.929 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -2.726 5.346 -2.493 0.00 0.00 +0.277 C ATOM 16 O LIG 1 -1.889 4.995 -3.329 0.00 0.00 -0.268 OA ATOM 17 N LIG 1 -3.586 6.349 -2.650 0.00 0.00 -0.122 NA ENDBRANCH 2 14 ENDBRANCH 1 5 BRANCH 1 18 ATOM 18 C LIG 1 1.718 -1.720 -0.908 0.00 0.00 +0.123 C BRANCH 18 19 ATOM 19 C LIG 1 2.466 -2.462 -2.034 0.00 0.00 +0.164 C BRANCH 19 20 ATOM 20 O LIG 1 3.104 -3.108 -3.006 0.00 0.00 -0.347 OA BRANCH 20 21 ATOM 21 C LIG 1 4.409 -2.945 -2.808 0.00 0.00 +0.167 C BRANCH 21 22 ATOM 22 C LIG 1 5.815 -2.779 -2.600 0.00 0.00 -0.009 A ATOM 23 C LIG 1 6.423 -1.551 -2.872 0.00 0.00 +0.006 A ATOM 24 C LIG 1 7.795 -1.391 -2.663 0.00 0.00 +0.000 A ATOM 25 C LIG 1 8.558 -2.457 -2.184 0.00 0.00 +0.000 A ATOM 26 C LIG 1 7.949 -3.680 -1.904 0.00 0.00 +0.000 A ATOM 27 C LIG 1 6.577 -3.842 -2.113 0.00 0.00 +0.006 A ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 1 28 ATOM 28 C LIG 1 0.451 -1.935 1.173 0.00 0.00 +0.123 C BRANCH 28 29 ATOM 29 C LIG 1 -0.234 -2.843 2.215 0.00 0.00 +0.164 C BRANCH 29 30 ATOM 30 O LIG 1 -0.876 -3.588 3.110 0.00 0.00 -0.347 OA BRANCH 30 31 ATOM 31 C LIG 1 -2.044 -2.992 3.338 0.00 0.00 +0.167 C BRANCH 31 32 ATOM 32 C LIG 1 -3.283 -2.320 3.586 0.00 0.00 -0.009 A ATOM 33 C LIG 1 -3.618 -1.180 2.852 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -4.814 -0.509 3.109 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.678 -0.981 4.098 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.348 -2.123 4.829 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.149 -2.793 4.575 0.00 0.00 +0.006 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 12