REMARK Name = BDB049354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.260 -0.773 0.338 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -1.218 0.133 0.745 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -2.429 -0.519 0.810 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -2.133 -1.823 0.428 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -3.155 -2.783 0.379 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.461 -2.401 0.721 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -4.732 -1.079 1.099 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.722 -0.109 1.151 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.800 -1.959 0.142 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.535 -3.371 0.677 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.567 -4.548 1.393 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -4.660 -5.210 2.349 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -6.728 -5.204 1.122 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.483 -4.466 0.230 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -6.763 -3.369 -0.037 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -7.284 -2.354 -0.982 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 C LIG 1 1.184 -0.424 0.155 0.00 0.00 +0.079 C BRANCH 17 18 ATOM 18 C LIG 1 1.982 -1.555 -0.499 0.00 0.00 +0.043 C BRANCH 18 22 ATOM 19 C LIG 1 6.123 -0.378 -1.060 0.00 0.00 +0.033 A ATOM 20 C LIG 1 5.170 -0.179 -2.070 0.00 0.00 +0.023 A ATOM 21 C LIG 1 3.836 -0.563 -1.899 0.00 0.00 +0.005 A ATOM 22 C LIG 1 3.424 -1.159 -0.706 0.00 0.00 -0.047 A ATOM 23 C LIG 1 4.368 -1.352 0.308 0.00 0.00 +0.005 A ATOM 24 C LIG 1 5.704 -0.965 0.131 0.00 0.00 +0.023 A BRANCH 19 27 ATOM 25 C LIG 1 8.774 -0.634 0.642 0.00 0.00 +0.109 C ATOM 26 C LIG 1 8.622 0.013 -0.701 0.00 0.00 +0.214 C ATOM 27 N LIG 1 7.429 0.053 -1.354 0.00 0.00 -0.286 N ATOM 28 H LIG 1 7.552 0.501 -2.256 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 9.599 0.527 -1.254 0.00 0.00 -0.276 OA ENDBRANCH 19 27 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -1.000 1.537 1.050 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 C LIG 1 -1.213 2.423 -0.186 0.00 0.00 +0.106 C BRANCH 31 32 ATOM 32 N LIG 1 -0.970 3.847 0.095 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 -1.621 4.697 -0.929 0.00 0.00 +0.112 C ATOM 34 C LIG 1 -1.015 6.107 -0.969 0.00 0.00 +0.175 C ATOM 35 O LIG 1 0.364 6.104 -1.363 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 1.041 4.884 -1.039 0.00 0.00 +0.175 C ATOM 37 C LIG 1 0.468 4.186 0.207 0.00 0.00 +0.112 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 8