REMARK Name = BDB059868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.960 -1.569 -1.460 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.306 -0.859 -0.439 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.056 -0.530 -0.535 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -1.701 0.245 0.592 0.00 0.00 +0.143 C ATOM 5 N LIG 1 -3.139 0.444 0.444 0.00 0.00 -0.293 N ATOM 6 C LIG 1 -3.625 0.609 -0.926 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -3.240 -0.586 -1.795 0.00 0.00 +0.054 C ATOM 8 C LIG 1 -3.817 0.910 1.569 0.00 0.00 +0.247 C ATOM 9 O LIG 1 -3.292 1.075 2.666 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.774 -0.909 -1.681 0.00 0.00 -0.041 A ATOM 11 C LIG 1 -1.136 -1.639 -2.690 0.00 0.00 +0.004 A ATOM 12 C LIG 1 0.217 -1.964 -2.581 0.00 0.00 +0.004 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -5.255 1.226 1.442 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -6.226 0.209 1.402 0.00 0.00 -0.038 A ATOM 15 C LIG 1 -5.856 -1.243 1.490 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -7.570 0.582 1.256 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -7.933 1.930 1.185 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.960 2.927 1.259 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.618 2.577 1.391 0.00 0.00 +0.013 A ENDBRANCH 8 13 BRANCH 1 20 ATOM 20 C LIG 1 2.435 -1.953 -1.354 0.00 0.00 +0.060 C BRANCH 20 25 ATOM 21 N LIG 1 5.667 2.324 0.476 0.00 0.00 -0.244 N ATOM 22 C LIG 1 4.952 1.172 0.282 0.00 0.00 +0.089 A ATOM 23 C LIG 1 4.435 1.332 -0.995 0.00 0.00 +0.116 A ATOM 24 C LIG 1 3.615 0.333 -1.570 0.00 0.00 -0.017 A ATOM 25 C LIG 1 3.339 -0.837 -0.790 0.00 0.00 -0.034 A ATOM 26 C LIG 1 3.899 -0.945 0.500 0.00 0.00 +0.007 A ATOM 27 C LIG 1 3.053 0.531 -2.952 0.00 0.00 +0.046 C ATOM 28 N LIG 1 4.855 2.536 -1.505 0.00 0.00 -0.129 NA ATOM 29 C LIG 1 4.710 0.047 1.063 0.00 0.00 +0.030 A ATOM 30 N LIG 1 5.613 3.134 -0.596 0.00 0.00 -0.065 NA BRANCH 21 32 ATOM 31 C LIG 1 7.866 2.267 1.578 0.00 0.00 +0.029 C ATOM 32 C LIG 1 6.420 2.724 1.643 0.00 0.00 +0.142 C ENDBRANCH 21 32 ENDBRANCH 20 25 BRANCH 20 33 ATOM 33 C LIG 1 2.606 -3.376 -0.779 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 1.743 -3.689 0.416 0.00 0.00 +0.306 C ATOM 35 O LIG 1 1.797 -3.172 1.518 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 0.854 -4.672 0.170 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 0.339 -4.741 1.001 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 20 33 ENDBRANCH 1 20 TORSDOF 7