REMARK Name = BDB002967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.728 -2.077 -1.826 0.00 0.00 -0.315 N ATOM 2 C LIG 1 -3.054 -3.249 -2.507 0.00 0.00 +0.067 A ATOM 3 C LIG 1 -4.267 -3.692 -1.973 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -4.906 -4.842 -2.431 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -4.259 -5.542 -3.457 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.034 -5.103 -3.991 0.00 0.00 +0.002 A ATOM 7 N LIG 1 -4.612 -2.782 -0.983 0.00 0.00 -0.329 N ATOM 8 C LIG 1 -5.822 -2.839 -0.161 0.00 0.00 +0.150 C ATOM 9 C LIG 1 -2.401 -3.942 -3.526 0.00 0.00 +0.028 A ATOM 10 C LIG 1 -3.686 -1.796 -0.904 0.00 0.00 +0.129 A ENDROOT BRANCH 10 11 ATOM 11 C LIG 1 -3.751 -0.605 0.046 0.00 0.00 +0.301 C BRANCH 11 12 ATOM 12 O LIG 1 -4.996 0.061 -0.119 0.00 0.00 -0.484 OA BRANCH 12 13 ATOM 13 C LIG 1 -5.228 1.133 0.697 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -4.392 1.587 1.718 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -4.756 2.702 2.487 0.00 0.00 +0.049 A ATOM 16 C LIG 1 -5.956 3.369 2.241 0.00 0.00 +0.120 A ATOM 17 C LIG 1 -6.788 2.911 1.220 0.00 0.00 +0.049 A ATOM 18 C LIG 1 -6.428 1.800 0.454 0.00 0.00 +0.049 A BRANCH 16 19 ATOM 19 O LIG 1 -6.426 4.460 2.914 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 -5.622 4.968 3.972 0.00 0.00 +0.277 C ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 10 11 BRANCH 1 21 ATOM 21 C LIG 1 -1.498 -1.279 -2.038 0.00 0.00 +0.244 C BRANCH 21 22 ATOM 22 C LIG 1 -0.567 -1.351 -0.834 0.00 0.00 +0.327 C ATOM 23 O LIG 1 -0.939 -1.624 0.302 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 O LIG 1 0.701 -1.019 -1.193 0.00 0.00 -0.463 OA BRANCH 24 25 ATOM 25 C LIG 1 1.656 -1.039 -0.117 0.00 0.00 +0.232 C BRANCH 25 26 ATOM 26 C LIG 1 3.019 -0.671 -0.693 0.00 0.00 +0.041 C BRANCH 26 27 ATOM 27 C LIG 1 4.160 -0.755 0.322 0.00 0.00 +0.003 C BRANCH 27 28 ATOM 28 C LIG 1 4.022 0.247 1.472 0.00 0.00 +0.000 C BRANCH 28 29 ATOM 29 C LIG 1 5.245 0.262 2.397 0.00 0.00 +0.000 C BRANCH 29 30 ATOM 30 C LIG 1 6.241 1.393 2.119 0.00 0.00 -0.000 C BRANCH 30 31 ATOM 31 C LIG 1 6.907 1.320 0.745 0.00 0.00 -0.000 C BRANCH 31 32 ATOM 32 C LIG 1 7.985 2.396 0.594 0.00 0.00 -0.000 C BRANCH 32 34 ATOM 33 C LIG 1 7.888 2.582 -1.950 0.00 0.00 +0.004 C ATOM 34 C LIG 1 8.750 2.304 -0.729 0.00 0.00 -0.003 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 16