REMARK Name = BDB057572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.605 -3.179 -2.000 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -0.300 0.321 -0.931 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -1.572 0.451 -1.497 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -2.311 -0.679 -1.845 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.786 -1.964 -1.635 0.00 0.00 -0.045 A ATOM 6 C LIG 1 -0.495 -2.090 -1.103 0.00 0.00 +0.007 A ATOM 7 C LIG 1 0.241 -0.954 -0.748 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 0.288 1.506 -0.592 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 1.633 1.444 -0.103 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 2.090 2.873 0.220 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 3.808 2.529 2.001 0.00 0.00 +0.134 C ATOM 12 N LIG 1 3.492 2.936 0.646 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 4.438 2.818 -0.321 0.00 0.00 +0.291 A ATOM 14 O LIG 1 5.738 2.626 0.078 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 6.437 2.537 -1.093 0.00 0.00 +0.157 A ATOM 16 C LIG 1 5.533 2.675 -2.134 0.00 0.00 +0.111 A ATOM 17 C LIG 1 5.998 2.606 -3.457 0.00 0.00 +0.031 A ATOM 18 C LIG 1 7.373 2.399 -3.663 0.00 0.00 +0.002 A ATOM 19 C LIG 1 8.256 2.265 -2.580 0.00 0.00 +0.004 A ATOM 20 C LIG 1 7.804 2.336 -1.253 0.00 0.00 +0.048 A ATOM 21 N LIG 1 4.270 2.853 -1.630 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -2.854 -4.181 -0.860 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -3.779 -5.317 -1.327 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -3.737 -5.869 -2.415 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -4.681 -5.658 -0.367 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -4.513 -5.060 0.406 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -3.373 -3.610 0.425 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -2.593 -3.457 1.091 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.250 -2.509 0.481 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -4.067 -1.471 1.427 0.00 0.00 +0.061 A ATOM 31 C LIG 1 -5.050 -0.489 1.530 0.00 0.00 +0.124 A ATOM 32 N LIG 1 -6.152 -0.429 0.745 0.00 0.00 -0.262 NA ATOM 33 C LIG 1 -6.297 -1.413 -0.168 0.00 0.00 +0.112 A ATOM 34 C LIG 1 -5.393 -2.454 -0.329 0.00 0.00 +0.043 A BRANCH 30 35 ATOM 35 C LIG 1 -2.865 -1.432 2.309 0.00 0.00 +0.196 C ATOM 36 O LIG 1 -2.345 -2.498 2.651 0.00 0.00 -0.287 OA BRANCH 35 37 ATOM 37 C LIG 1 -2.252 -0.166 2.789 0.00 0.00 +0.022 A ATOM 38 C LIG 1 -1.575 -0.181 4.020 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -0.967 0.978 4.509 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -1.015 2.153 3.763 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -1.666 2.170 2.528 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -2.279 1.014 2.040 0.00 0.00 +0.012 A ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13