REMARK Name = BDB018974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.247 -3.461 0.308 0.00 0.00 +0.055 A ATOM 2 N LIG 1 1.389 -2.662 0.520 0.00 0.00 -0.299 N ATOM 3 C LIG 1 2.574 -3.144 1.071 0.00 0.00 +0.139 A ATOM 4 N LIG 1 3.482 -2.197 1.177 0.00 0.00 -0.228 NA ATOM 5 C LIG 1 2.887 -1.056 0.687 0.00 0.00 +0.090 A ATOM 6 C LIG 1 2.621 -4.521 1.424 0.00 0.00 +0.047 A ATOM 7 C LIG 1 1.541 -5.299 1.225 0.00 0.00 +0.006 A ATOM 8 C LIG 1 1.607 -1.328 0.257 0.00 0.00 +0.121 A ATOM 9 C LIG 1 0.314 -4.765 0.657 0.00 0.00 +0.027 A ENDROOT BRANCH 1 20 ATOM 10 C LIG 1 -2.235 4.242 -0.938 0.00 0.00 +0.129 C ATOM 11 N LIG 1 -3.108 3.094 -0.935 0.00 0.00 -0.302 N ATOM 12 H LIG 1 -4.093 3.288 -1.018 0.00 0.00 +0.150 HD ATOM 13 C LIG 1 -2.795 2.004 -0.160 0.00 0.00 +0.302 C ATOM 14 N LIG 1 -3.729 0.980 -0.200 0.00 0.00 -0.278 N ATOM 15 C LIG 1 -3.494 -0.187 0.636 0.00 0.00 +0.148 C ATOM 16 C LIG 1 -2.868 -1.324 -0.132 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -3.358 -1.817 -1.349 0.00 0.00 +0.125 A ATOM 18 C LIG 1 -2.669 -2.847 -2.005 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -1.503 -3.396 -1.469 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -1.004 -2.924 -0.255 0.00 0.00 -0.001 A ATOM 21 O LIG 1 -4.450 -1.384 -2.049 0.00 0.00 -0.490 OA ATOM 22 C LIG 1 -5.373 -0.510 -1.407 0.00 0.00 +0.248 C ATOM 23 C LIG 1 -1.700 -1.905 0.409 0.00 0.00 +0.018 A ATOM 24 C LIG 1 -4.796 0.892 -1.200 0.00 0.00 +0.150 C ATOM 25 O LIG 1 -1.767 1.954 0.510 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 5 26 ATOM 26 C LIG 1 3.556 0.236 0.638 0.00 0.00 +0.002 A ATOM 27 C LIG 1 2.858 1.427 0.397 0.00 0.00 +0.013 A ATOM 28 C LIG 1 3.529 2.659 0.358 0.00 0.00 +0.046 A ATOM 29 C LIG 1 4.907 2.716 0.562 0.00 0.00 +0.120 A ATOM 30 C LIG 1 5.606 1.533 0.806 0.00 0.00 +0.046 A ATOM 31 C LIG 1 4.939 0.305 0.847 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 O LIG 1 5.677 3.846 0.549 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 5.004 5.077 0.319 0.00 0.00 +0.277 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 3