REMARK Name = BDB049500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.457 -1.447 -0.624 0.00 0.00 +0.116 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 0.836 -0.632 -0.845 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.495 -0.124 -1.657 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.052 -1.318 -0.051 0.00 0.00 +0.215 C ATOM 5 O LIG 1 0.277 -1.812 1.023 0.00 0.00 -0.276 OA BRANCH 2 6 ATOM 6 C LIG 1 2.179 -0.286 -0.368 0.00 0.00 +0.186 C BRANCH 6 7 ATOM 7 C LIG 1 2.648 0.932 -1.165 0.00 0.00 +0.328 C ATOM 8 O LIG 1 2.399 1.112 -2.353 0.00 0.00 -0.249 OA BRANCH 7 10 ATOM 9 C LIG 1 3.861 2.932 -1.064 0.00 0.00 +0.280 C ATOM 10 O LIG 1 3.373 1.778 -0.382 0.00 0.00 -0.467 OA ENDBRANCH 7 10 ENDBRANCH 6 7 BRANCH 6 11 ATOM 11 C LIG 1 3.151 -1.456 -0.571 0.00 0.00 +0.069 C BRANCH 11 12 ATOM 12 C LIG 1 4.490 -1.247 0.094 0.00 0.00 -0.045 A ATOM 13 C LIG 1 4.611 -1.359 1.487 0.00 0.00 +0.007 A ATOM 14 C LIG 1 5.842 -1.148 2.107 0.00 0.00 +0.045 A ATOM 15 C LIG 1 6.955 -0.828 1.339 0.00 0.00 +0.117 A ATOM 16 C LIG 1 6.857 -0.714 -0.044 0.00 0.00 +0.045 A ATOM 17 C LIG 1 5.624 -0.924 -0.666 0.00 0.00 +0.007 A BRANCH 15 18 ATOM 18 O LIG 1 8.139 -0.632 1.986 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 8.824 -0.441 1.325 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 -2.501 -0.377 -0.125 0.00 0.00 +0.054 C BRANCH 20 21 ATOM 21 C LIG 1 -2.924 -0.544 1.372 0.00 0.00 -0.032 A ATOM 22 C LIG 1 -2.630 -1.690 2.131 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -3.055 -1.815 3.459 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.802 -0.806 4.058 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.129 0.329 3.328 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.701 0.454 2.003 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 C LIG 1 -3.835 -0.554 -0.953 0.00 0.00 -0.032 A ATOM 28 C LIG 1 -4.290 -1.824 -1.360 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.488 -1.978 -2.066 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.273 -0.870 -2.366 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.869 0.392 -1.946 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.673 0.546 -1.240 0.00 0.00 +0.005 A ENDBRANCH 20 27 BRANCH 20 33 ATOM 33 C LIG 1 -1.798 0.999 -0.420 0.00 0.00 -0.032 A ATOM 34 C LIG 1 -1.710 1.498 -1.738 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -1.019 2.678 -2.024 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -0.383 3.379 -1.005 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -0.426 2.894 0.298 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -1.116 1.713 0.586 0.00 0.00 +0.005 A ENDBRANCH 20 33 ENDBRANCH 1 20 TORSDOF 11