REMARK Name = BDB057878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.013 -4.265 -0.079 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.782 -4.756 -0.540 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -1.676 -3.905 -0.553 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -1.783 -2.561 -0.108 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -3.004 -2.088 0.368 0.00 0.00 +0.082 A ATOM 6 N LIG 1 -3.167 -0.845 0.826 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 -2.111 -0.022 0.846 0.00 0.00 +0.220 A ATOM 8 N LIG 1 -0.905 -0.388 0.398 0.00 0.00 -0.199 NA ATOM 9 C LIG 1 -0.737 -1.627 -0.092 0.00 0.00 +0.132 A ATOM 10 C LIG 1 -4.100 -2.942 0.371 0.00 0.00 +0.078 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -2.274 1.245 1.353 0.00 0.00 -0.297 N ATOM 12 C LIG 1 -3.610 1.692 1.737 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -3.535 3.039 2.492 0.00 0.00 +0.103 C ATOM 14 N LIG 1 -2.840 4.135 1.781 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 -3.781 5.062 1.160 0.00 0.00 +0.105 C ATOM 16 C LIG 1 -1.885 3.614 0.777 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -1.240 2.260 1.152 0.00 0.00 +0.123 C ENDBRANCH 7 11 BRANCH 1 19 ATOM 18 C LIG 1 -6.319 -4.694 0.383 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -5.062 -5.149 -0.100 0.00 0.00 -0.491 OA ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 O LIG 1 -2.764 -6.062 -0.957 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -1.510 -6.626 -1.312 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 9 22 ATOM 22 N LIG 1 0.536 -2.005 -0.572 0.00 0.00 -0.326 N ATOM 23 H LIG 1 0.439 -2.398 -1.504 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 1.591 -0.982 -0.526 0.00 0.00 +0.074 C ATOM 25 C LIG 1 1.475 -0.009 -1.704 0.00 0.00 +0.037 C ATOM 26 C LIG 1 2.658 0.959 -1.721 0.00 0.00 +0.086 C ATOM 27 N LIG 1 3.924 0.225 -1.780 0.00 0.00 -0.298 NA ATOM 28 C LIG 1 4.088 -0.675 -0.636 0.00 0.00 +0.086 C ATOM 29 C LIG 1 2.949 -1.691 -0.583 0.00 0.00 +0.037 C BRANCH 27 30 ATOM 30 C LIG 1 5.090 1.092 -2.013 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 C LIG 1 5.413 2.112 -0.941 0.00 0.00 -0.033 A ATOM 32 C LIG 1 4.866 3.403 -0.993 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.163 4.342 -0.004 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.013 4.004 1.047 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.569 2.728 1.108 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.273 1.788 0.120 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 9 22 TORSDOF 7