REMARK Name = BDB043479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.796 1.670 -1.016 0.00 0.00 +0.173 C ATOM 2 C LIG 1 3.928 2.661 0.097 0.00 0.00 +0.222 C ATOM 3 O LIG 1 4.999 2.956 0.616 0.00 0.00 -0.284 OA ATOM 4 C LIG 1 2.708 3.329 0.575 0.00 0.00 +0.081 C ATOM 5 C LIG 1 1.497 3.067 0.076 0.00 0.00 +0.085 C ATOM 6 C LIG 1 1.344 1.948 -0.910 0.00 0.00 +0.207 C ATOM 7 O LIG 1 0.251 1.459 -1.176 0.00 0.00 -0.286 OA ATOM 8 N LIG 1 0.399 3.748 0.562 0.00 0.00 -0.279 N ATOM 9 H LIG 1 0.485 4.209 1.459 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.794 3.950 -0.101 0.00 0.00 +0.244 C ATOM 11 O LIG 1 -0.963 3.859 -1.311 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -1.877 4.502 0.772 0.00 0.00 +0.012 C ATOM 13 C LIG 1 -2.618 5.661 0.175 0.00 0.00 +0.049 C ATOM 14 C LIG 1 -2.205 3.981 1.970 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -1.638 2.828 2.631 0.00 0.00 -0.001 C ATOM 16 C LIG 1 -1.686 1.548 2.220 0.00 0.00 +0.008 C ATOM 17 C LIG 1 -2.372 0.959 0.991 0.00 0.00 +0.186 C ATOM 18 C LIG 1 -2.344 -0.627 0.993 0.00 0.00 +0.236 C ATOM 19 C LIG 1 -1.907 -1.334 -0.295 0.00 0.00 -0.033 C ATOM 20 C LIG 1 -2.577 -0.872 -1.567 0.00 0.00 +0.042 C ATOM 21 C LIG 1 -1.008 -2.345 -0.391 0.00 0.00 -0.019 C ATOM 22 C LIG 1 -0.200 -3.137 0.622 0.00 0.00 +0.040 C ATOM 23 C LIG 1 -0.861 -3.317 1.998 0.00 0.00 +0.014 C ATOM 24 C LIG 1 1.278 -2.647 0.726 0.00 0.00 +0.150 C ATOM 25 C LIG 1 2.247 -3.007 -0.451 0.00 0.00 +0.147 C ATOM 26 C LIG 1 2.761 -1.784 -1.243 0.00 0.00 +0.037 C ATOM 27 C LIG 1 1.772 -1.026 -2.153 0.00 0.00 -0.007 C ATOM 28 C LIG 1 1.406 -1.821 -3.413 0.00 0.00 +0.008 C ATOM 29 C LIG 1 2.352 0.344 -2.604 0.00 0.00 +0.046 C ATOM 30 C LIG 1 2.580 1.343 -1.486 0.00 0.00 +0.047 C ENDROOT BRANCH 1 32 ATOM 31 C LIG 1 5.920 0.655 -0.671 0.00 0.00 +0.277 C ATOM 32 O LIG 1 4.920 1.087 -1.590 0.00 0.00 -0.491 OA ENDBRANCH 1 32 BRANCH 17 33 ATOM 33 O LIG 1 -3.715 1.479 1.006 0.00 0.00 -0.372 OA ATOM 34 C LIG 1 -4.226 1.808 -0.273 0.00 0.00 +0.195 C ENDBRANCH 17 33 BRANCH 24 35 ATOM 35 O LIG 1 1.877 -3.187 1.927 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 1.782 -4.154 1.889 0.00 0.00 +0.210 HD ENDBRANCH 24 35 BRANCH 25 37 ATOM 37 O LIG 1 1.717 -3.986 -1.344 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 2.107 -5.315 -1.022 0.00 0.00 +0.194 C ENDBRANCH 25 37 BRANCH 18 39 ATOM 39 O LIG 1 -3.643 -1.162 1.325 0.00 0.00 -0.440 OA BRANCH 39 40 ATOM 40 C LIG 1 -3.936 -1.205 2.640 0.00 0.00 +0.398 C ATOM 41 O LIG 1 -3.196 -0.924 3.570 0.00 0.00 -0.227 OA ATOM 42 N LIG 1 -5.212 -1.619 2.809 0.00 0.00 -0.295 N ATOM 43 H LIG 1 -5.612 -1.514 3.729 0.00 0.00 +0.148 HD ATOM 44 H LIG 1 -5.812 -1.618 1.998 0.00 0.00 +0.148 HD ENDBRANCH 39 40 ENDBRANCH 18 39 TORSDOF 6