REMARK Name = BDB008273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.807 -0.403 -0.487 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.556 -0.720 -0.119 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.404 0.218 -0.173 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.137 1.521 -0.567 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.157 1.858 -0.973 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -2.139 0.866 -0.943 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.477 3.227 -1.417 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -1.935 4.208 -0.479 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -2.238 5.516 -0.918 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -2.672 6.488 -0.097 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -2.825 6.201 1.212 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -2.561 4.963 1.756 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.085 5.823 -2.258 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.641 4.880 -3.185 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -2.112 3.962 0.902 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.334 3.579 -2.781 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -0.857 2.591 -3.815 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.763 -2.580 0.191 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.831 -1.358 -0.457 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.710 -1.101 -0.879 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.887 -2.954 0.966 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.975 -3.485 -0.144 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.754 -4.125 -1.512 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -4.704 -4.051 2.107 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.138 -4.558 0.861 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.195 -4.910 1.068 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.721 -0.076 0.208 0.00 0.00 -0.266 N ATOM 28 H LIG 1 2.363 0.699 0.268 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.238 -1.348 0.350 0.00 0.00 +0.249 C ATOM 30 O LIG 1 1.728 -2.401 -0.007 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 3.618 -1.394 0.915 0.00 0.00 +0.038 A ATOM 32 C LIG 1 4.493 -2.391 0.462 0.00 0.00 +0.021 A ATOM 33 C LIG 1 5.804 -2.474 0.959 0.00 0.00 -0.014 A ATOM 34 C LIG 1 6.231 -1.549 1.932 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.543 -1.669 2.397 0.00 0.00 +0.119 A ATOM 36 N LIG 1 8.424 -2.606 1.976 0.00 0.00 -0.263 NA ATOM 37 C LIG 1 7.979 -3.478 1.049 0.00 0.00 +0.111 A ATOM 38 C LIG 1 5.342 -0.563 2.398 0.00 0.00 +0.011 A ATOM 39 C LIG 1 6.699 -3.455 0.517 0.00 0.00 +0.028 A ATOM 40 C LIG 1 4.040 -0.489 1.896 0.00 0.00 +0.014 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6