REMARK Name = BDB051181 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.298 0.527 0.276 0.00 0.00 +0.223 A ATOM 2 N LIG 1 -0.562 -0.562 -0.457 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -1.824 -0.786 -0.853 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -2.824 0.108 -0.525 0.00 0.00 +0.087 A ATOM 5 C LIG 1 -2.491 1.207 0.243 0.00 0.00 +0.131 A ATOM 6 N LIG 1 -1.232 1.406 0.648 0.00 0.00 -0.199 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.096 -1.904 -1.640 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -0.931 -2.692 -2.076 0.00 0.00 +0.122 C ATOM 9 C LIG 1 -1.387 -3.783 -3.070 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -2.344 -4.760 -2.499 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -3.246 -5.260 -3.533 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.080 -4.191 -1.353 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.335 -2.664 -1.401 0.00 0.00 +0.122 C ENDBRANCH 3 7 BRANCH 1 14 ATOM 14 N LIG 1 0.984 0.819 0.726 0.00 0.00 -0.281 N ATOM 15 H LIG 1 0.981 1.725 1.180 0.00 0.00 +0.155 HD BRANCH 14 19 ATOM 16 C LIG 1 4.874 -0.806 0.227 0.00 0.00 +0.165 A ATOM 17 C LIG 1 4.661 0.363 0.969 0.00 0.00 +0.205 A ATOM 18 C LIG 1 3.362 0.864 1.150 0.00 0.00 +0.186 A ATOM 19 C LIG 1 2.252 0.261 0.527 0.00 0.00 +0.080 A ATOM 20 C LIG 1 2.483 -0.901 -0.212 0.00 0.00 +0.031 A ATOM 21 C LIG 1 3.774 -1.432 -0.362 0.00 0.00 +0.051 A BRANCH 16 23 ATOM 22 C LIG 1 6.398 -2.472 -0.538 0.00 0.00 +0.277 C ATOM 23 O LIG 1 6.171 -1.238 0.129 0.00 0.00 -0.491 OA ENDBRANCH 16 23 BRANCH 17 24 ATOM 24 O LIG 1 5.728 0.993 1.568 0.00 0.00 -0.488 OA ATOM 25 C LIG 1 6.238 2.001 0.696 0.00 0.00 +0.277 C ENDBRANCH 17 24 BRANCH 18 26 ATOM 26 O LIG 1 3.139 2.006 1.892 0.00 0.00 -0.490 OA ATOM 27 C LIG 1 3.225 1.708 3.287 0.00 0.00 +0.277 C ENDBRANCH 18 26 ENDBRANCH 14 19 ENDBRANCH 1 14 BRANCH 5 28 ATOM 28 N LIG 1 -3.521 2.123 0.567 0.00 0.00 -0.283 N ATOM 29 H LIG 1 -4.357 1.629 0.844 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.388 3.401 0.996 0.00 0.00 +0.146 A ATOM 31 N LIG 1 -2.356 4.225 0.806 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 -2.713 5.367 1.403 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -2.052 6.136 1.390 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 -3.963 5.332 1.951 0.00 0.00 +0.035 A ATOM 35 C LIG 1 -4.560 6.492 2.645 0.00 0.00 +0.065 C ATOM 36 C LIG 1 -4.431 4.062 1.695 0.00 0.00 +0.068 A ENDBRANCH 28 30 ENDBRANCH 5 28 TORSDOF 8