REMARK Name = BDB032091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.870 2.669 1.479 0.00 0.00 +0.012 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.372 2.277 0.677 0.00 0.00 +0.077 C BRANCH 2 8 ATOM 3 N LIG 1 -2.226 2.210 2.353 0.00 0.00 -0.280 N ATOM 4 C LIG 1 -2.962 1.232 2.981 0.00 0.00 +0.347 A ATOM 5 O LIG 1 -3.905 1.392 3.740 0.00 0.00 -0.245 OA ATOM 6 N LIG 1 -2.413 0.027 2.547 0.00 0.00 -0.209 N ATOM 7 N LIG 1 -1.411 0.260 1.632 0.00 0.00 -0.153 NA ATOM 8 C LIG 1 -1.355 1.559 1.556 0.00 0.00 +0.134 A BRANCH 3 10 ATOM 9 C LIG 1 -3.599 4.046 1.468 0.00 0.00 +0.027 C ATOM 10 C LIG 1 -2.522 3.626 2.455 0.00 0.00 +0.125 C ENDBRANCH 3 10 BRANCH 6 11 ATOM 11 C LIG 1 -2.940 -1.285 2.827 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 C LIG 1 -3.996 -1.699 1.832 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -3.642 -2.345 0.645 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -4.618 -2.721 -0.286 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -5.979 -2.453 -0.067 0.00 0.00 -0.042 A ATOM 16 C LIG 1 -6.317 -1.786 1.127 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -5.344 -1.411 2.059 0.00 0.00 +0.006 A BRANCH 15 18 ATOM 18 C LIG 1 -7.077 -2.853 -1.067 0.00 0.00 -0.013 C ATOM 19 C LIG 1 -6.545 -3.588 -2.317 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -7.815 -1.589 -1.559 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -8.088 -3.796 -0.378 0.00 0.00 +0.015 C ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 C LIG 1 1.787 3.635 0.726 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 2.418 3.040 -0.509 0.00 0.00 -0.047 A ATOM 24 C LIG 1 3.461 2.106 -0.393 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.067 1.533 -1.525 0.00 0.00 -0.018 A ATOM 26 C LIG 1 3.595 1.919 -2.789 0.00 0.00 +0.008 A ATOM 27 C LIG 1 2.556 2.844 -2.919 0.00 0.00 +0.001 A ATOM 28 C LIG 1 1.970 3.402 -1.784 0.00 0.00 +0.003 A BRANCH 25 29 ATOM 29 C LIG 1 5.166 0.561 -1.387 0.00 0.00 -0.017 A ATOM 30 C LIG 1 6.279 0.835 -0.578 0.00 0.00 +0.016 A ATOM 31 C LIG 1 7.333 -0.086 -0.432 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.267 -1.320 -1.101 0.00 0.00 +0.124 A ATOM 33 C LIG 1 6.168 -1.604 -1.912 0.00 0.00 +0.046 A ATOM 34 C LIG 1 5.133 -0.672 -2.053 0.00 0.00 +0.012 A BRANCH 32 35 ATOM 35 O LIG 1 8.311 -2.180 -0.862 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 8.350 -3.376 -1.640 0.00 0.00 +0.277 C ENDBRANCH 32 35 BRANCH 31 37 ATOM 37 C LIG 1 8.499 0.267 0.464 0.00 0.00 +0.159 C BRANCH 37 38 ATOM 38 C LIG 1 8.399 -0.333 1.847 0.00 0.00 +0.309 C ATOM 39 O LIG 1 8.261 0.326 2.868 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 8.502 -1.683 1.870 0.00 0.00 -0.480 OA ATOM 41 H LIG 1 8.571 -2.057 0.963 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 13