REMARK Name = BDB048481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.598 -3.860 -0.334 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -0.365 -3.248 -0.590 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.599 -3.168 0.439 0.00 0.00 +0.029 A ATOM 4 C LIG 1 0.305 -3.732 1.673 0.00 0.00 +0.066 A ATOM 5 N LIG 1 1.398 -3.480 2.455 0.00 0.00 -0.276 N ATOM 6 H LIG 1 1.539 -3.740 3.428 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 2.372 -2.795 1.836 0.00 0.00 -0.173 NA ATOM 8 C LIG 1 -0.896 -4.393 1.944 0.00 0.00 +0.029 A ATOM 9 C LIG 1 1.897 -2.581 0.597 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -1.839 -4.452 0.911 0.00 0.00 +0.026 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 2.646 -1.779 -0.370 0.00 0.00 +0.004 A ATOM 12 C LIG 1 3.246 -0.578 0.049 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.890 0.252 -0.866 0.00 0.00 +0.034 A ATOM 14 C LIG 1 3.939 -0.135 -2.214 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.381 -1.343 -2.634 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.737 -2.164 -1.715 0.00 0.00 +0.010 A BRANCH 13 17 ATOM 17 N LIG 1 4.513 1.470 -0.525 0.00 0.00 -0.282 N ATOM 18 H LIG 1 4.861 2.009 -1.315 0.00 0.00 +0.155 HD ATOM 19 C LIG 1 4.633 2.037 0.715 0.00 0.00 +0.241 C ATOM 20 O LIG 1 4.153 1.624 1.765 0.00 0.00 -0.270 OA BRANCH 19 21 ATOM 21 C LIG 1 5.506 3.241 0.806 0.00 0.00 +0.074 C ATOM 22 C LIG 1 5.748 4.266 -0.034 0.00 0.00 +0.096 C BRANCH 22 23 ATOM 23 C LIG 1 5.182 4.469 -1.385 0.00 0.00 +0.330 C ATOM 24 O LIG 1 4.537 3.678 -2.050 0.00 0.00 -0.246 OA BRANCH 23 25 ATOM 25 O LIG 1 5.477 5.706 -1.836 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 5.031 5.763 -2.715 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 19 21 ENDBRANCH 13 17 ENDBRANCH 9 11 BRANCH 1 27 ATOM 27 N LIG 1 -2.617 -3.977 -1.323 0.00 0.00 -0.216 N ATOM 28 H LIG 1 -3.426 -4.558 -1.118 0.00 0.00 +0.174 HD BRANCH 27 29 ATOM 29 S LIG 1 -2.967 -2.756 -2.427 0.00 0.00 +0.072 S ATOM 30 O LIG 1 -4.267 -3.087 -2.980 0.00 0.00 -0.150 OA ATOM 31 O LIG 1 -1.822 -2.555 -3.297 0.00 0.00 -0.150 OA BRANCH 29 35 ATOM 32 C LIG 1 -3.439 0.934 0.269 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -4.463 -0.023 0.160 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -4.333 -1.140 -0.673 0.00 0.00 +0.029 A ATOM 35 C LIG 1 -3.160 -1.317 -1.400 0.00 0.00 +0.109 A ATOM 36 C LIG 1 -2.144 -0.366 -1.345 0.00 0.00 +0.029 A ATOM 37 C LIG 1 -2.285 0.743 -0.512 0.00 0.00 +0.006 A BRANCH 32 39 ATOM 38 C LIG 1 -4.813 2.192 2.059 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -3.542 2.167 1.186 0.00 0.00 -0.013 C ATOM 40 C LIG 1 -2.342 2.208 2.149 0.00 0.00 +0.015 C ATOM 41 C LIG 1 -3.546 3.446 0.320 0.00 0.00 +0.015 C ENDBRANCH 32 39 ENDBRANCH 29 35 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9