REMARK Name = BDB047491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.650 0.567 -1.615 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -3.304 0.321 -0.988 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -2.650 1.516 -0.693 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -1.405 1.526 -0.081 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.784 0.308 0.223 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -1.419 -0.923 -0.111 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.465 2.701 -1.102 0.00 0.00 +0.036 C ATOM 8 C LIG 1 -2.688 -0.893 -0.728 0.00 0.00 +0.016 A ATOM 9 C LIG 1 -4.505 2.054 -2.029 0.00 0.00 +0.013 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.794 -2.236 0.159 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -0.569 -3.152 -0.883 0.00 0.00 +0.008 A ATOM 12 C LIG 1 0.012 -4.399 -0.635 0.00 0.00 +0.001 A ATOM 13 C LIG 1 0.376 -4.751 0.661 0.00 0.00 +0.000 A ATOM 14 C LIG 1 0.160 -3.860 1.709 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -0.422 -2.614 1.459 0.00 0.00 +0.008 A ENDBRANCH 6 10 BRANCH 1 16 ATOM 16 C LIG 1 -5.880 0.300 -0.716 0.00 0.00 +0.105 C BRANCH 16 18 ATOM 17 C LIG 1 -7.178 0.778 1.433 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -5.889 1.009 0.651 0.00 0.00 +0.012 C ENDBRANCH 16 18 BRANCH 16 19 ATOM 19 C LIG 1 -6.139 -1.197 -0.643 0.00 0.00 +0.308 C ATOM 20 O LIG 1 -6.854 -1.782 -1.445 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 -5.496 -1.857 0.340 0.00 0.00 -0.480 OA ATOM 22 H LIG 1 -4.884 -1.315 0.873 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 5 23 ATOM 23 O LIG 1 0.450 0.201 0.817 0.00 0.00 -0.491 OA BRANCH 23 24 ATOM 24 C LIG 1 1.162 1.377 1.211 0.00 0.00 +0.235 C BRANCH 24 25 ATOM 25 C LIG 1 1.990 1.942 0.057 0.00 0.00 +0.100 C BRANCH 25 26 ATOM 26 C LIG 1 3.265 1.201 -0.147 0.00 0.00 +0.086 A ATOM 27 C LIG 1 3.493 -0.034 -0.717 0.00 0.00 +0.126 A ATOM 28 C LIG 1 2.647 -1.082 -1.312 0.00 0.00 +0.088 C ATOM 29 O LIG 1 4.837 -0.276 -0.667 0.00 0.00 -0.440 OA ATOM 30 C LIG 1 5.364 0.836 -0.065 0.00 0.00 +0.228 A ATOM 31 N LIG 1 4.463 1.745 0.263 0.00 0.00 -0.214 NA BRANCH 30 32 ATOM 32 C LIG 1 6.812 0.860 0.127 0.00 0.00 +0.037 A ATOM 33 C LIG 1 7.633 -0.205 -0.276 0.00 0.00 +0.013 A ATOM 34 C LIG 1 9.016 -0.154 -0.080 0.00 0.00 +0.001 A ATOM 35 C LIG 1 9.596 0.962 0.521 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.796 2.027 0.926 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.413 1.976 0.730 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 10