REMARK Name = BDB046180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.570 -1.358 0.096 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -3.840 -0.765 0.095 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -4.336 0.067 -0.895 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -5.656 0.391 -0.452 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -5.907 -0.185 0.736 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -3.511 0.372 -1.992 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.229 -0.185 -2.036 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -4.784 -0.912 1.063 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -1.764 -1.010 -1.003 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -6.664 1.219 -1.111 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -7.463 2.093 -0.358 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -8.428 2.889 -0.979 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -8.608 2.816 -2.359 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.830 1.942 -3.118 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.864 1.145 -2.497 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -2.100 -2.270 1.196 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -1.004 -2.421 3.462 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -1.462 -1.492 2.347 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -0.517 -1.577 -1.112 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 0.535 -0.614 -0.964 0.00 0.00 +0.229 C BRANCH 20 21 ATOM 21 C LIG 1 1.716 -1.084 -1.806 0.00 0.00 +0.044 C BRANCH 21 22 ATOM 22 C LIG 1 2.913 -0.137 -1.760 0.00 0.00 +0.044 C BRANCH 22 23 ATOM 23 C LIG 1 3.585 -0.073 -0.390 0.00 0.00 +0.229 C BRANCH 23 24 ATOM 24 O LIG 1 4.715 0.807 -0.475 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 5.884 0.198 -0.100 0.00 0.00 +0.124 A ATOM 26 C LIG 1 6.584 0.711 1.001 0.00 0.00 +0.005 A ATOM 27 C LIG 1 7.794 0.103 1.372 0.00 0.00 +0.008 A ATOM 28 C LIG 1 8.301 -0.976 0.644 0.00 0.00 +0.001 A ATOM 29 C LIG 1 7.610 -1.456 -0.465 0.00 0.00 +0.004 A ATOM 30 C LIG 1 6.405 -0.864 -0.844 0.00 0.00 +0.046 A BRANCH 26 31 ATOM 31 C LIG 1 6.052 1.885 1.787 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 4.848 1.558 2.641 0.00 0.00 +0.309 C ATOM 33 O LIG 1 4.338 0.470 2.858 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 4.339 2.664 3.232 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 3.594 2.321 3.764 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 13