REMARK Name = BDB024286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.441 -1.686 -0.005 0.00 0.00 +0.144 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.199 -2.930 -0.907 0.00 0.00 +0.015 C ATOM 3 C LIG 1 -0.416 -4.042 -0.167 0.00 0.00 +0.005 C ATOM 4 C LIG 1 -1.333 -5.104 0.429 0.00 0.00 +0.000 C ATOM 5 C LIG 1 -2.147 -5.818 -0.650 0.00 0.00 +0.000 C ATOM 6 C LIG 1 -2.443 -4.938 -1.864 0.00 0.00 +0.000 C ATOM 7 C LIG 1 -2.535 -3.467 -1.479 0.00 0.00 +0.005 C ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.729 -0.639 -0.478 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.470 -0.778 -1.444 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.117 -1.067 0.521 0.00 0.00 +0.236 C ATOM 11 O LIG 1 0.092 -0.968 1.728 0.00 0.00 -0.274 OA BRANCH 8 15 ATOM 12 C LIG 1 4.446 1.224 -0.384 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.747 0.877 -1.536 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.533 0.270 -1.549 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.970 -0.018 -0.358 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.583 0.287 0.847 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.833 0.915 0.830 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.003 2.857 0.733 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.757 2.589 0.057 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.560 3.068 -1.183 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.335 2.637 -1.494 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.739 1.880 -0.457 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.699 1.870 0.535 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.213 -0.654 -0.745 0.00 0.00 -0.305 NA ATOM 25 H LIG 1 -1.629 -0.208 -1.450 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.764 0.368 0.157 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.601 1.379 -0.639 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.187 2.446 0.255 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -3.465 3.614 0.534 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.000 4.593 1.376 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.262 4.410 1.951 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.984 3.244 1.681 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.448 2.266 0.839 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -5.811 5.414 2.815 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -6.256 6.227 3.514 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9