REMARK Name = BDB060493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.172 0.958 -0.906 0.00 0.00 +0.121 A ATOM 2 C UNK A 0 -0.527 2.079 -1.362 0.00 0.00 +0.046 A ATOM 3 C UNK A 0 -1.884 2.239 -1.071 0.00 0.00 +0.016 A ATOM 4 C UNK A 0 -2.561 1.268 -0.326 0.00 0.00 +0.037 A ATOM 5 C UNK A 0 -1.860 0.152 0.146 0.00 0.00 +0.016 A ATOM 6 C UNK A 0 -0.498 -0.003 -0.148 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C UNK A 0 -4.006 1.480 -0.038 0.00 0.00 +0.245 C ATOM 8 N VAL A 1 -4.770 0.351 0.135 0.00 0.00 -0.298 N ATOM 9 H VAL A 1 -4.361 -0.574 0.063 0.00 0.00 +0.150 HD ATOM 10 O UNK A 0 -4.470 2.613 0.014 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 CA VAL A 1 -6.183 0.408 0.497 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 CB VAL A 1 -7.132 0.235 -0.710 0.00 0.00 +0.014 C ATOM 13 CG2 VAL A 1 -7.103 1.459 -1.629 0.00 0.00 +0.009 C ATOM 14 CG1 VAL A 1 -6.847 -1.031 -1.526 0.00 0.00 +0.009 C ENDBRANCH 11 12 BRANCH 11 15 ATOM 15 C VAL A 1 -6.440 -0.675 1.553 0.00 0.00 +0.326 C ATOM 16 O VAL A 1 -5.766 -1.693 1.665 0.00 0.00 -0.249 OA BRANCH 15 17 ATOM 17 OXT VAL A 1 -7.506 -0.425 2.349 0.00 0.00 -0.479 OA ATOM 18 HXT VAL A 1 -7.941 0.432 2.179 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 11 15 ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 O UNK A 0 1.491 0.926 -1.262 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C UNK A 0 2.262 -0.190 -0.814 0.00 0.00 +0.229 C BRANCH 20 21 ATOM 21 C UNK A 0 3.687 -0.007 -1.332 0.00 0.00 +0.041 C BRANCH 21 22 ATOM 22 C UNK A 0 4.612 -1.184 -1.018 0.00 0.00 +0.003 C BRANCH 22 23 ATOM 23 C UNK A 0 4.807 -1.494 0.470 0.00 0.00 +0.000 C BRANCH 23 24 ATOM 24 C UNK A 0 5.340 -0.337 1.322 0.00 0.00 -0.000 C BRANCH 24 25 ATOM 25 C UNK A 0 6.681 0.253 0.871 0.00 0.00 -0.000 C BRANCH 25 27 ATOM 26 C UNK A 0 8.174 -1.393 2.126 0.00 0.00 +0.004 C ATOM 27 C UNK A 0 7.846 -0.737 0.794 0.00 0.00 -0.003 C ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13