REMARK Name = BDB060494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.114 -1.261 -0.550 0.00 0.00 +0.121 A ATOM 2 C UNK A 0 -0.433 -0.279 0.170 0.00 0.00 +0.046 A ATOM 3 C UNK A 0 0.964 -0.192 0.102 0.00 0.00 +0.016 A ATOM 4 C UNK A 0 1.692 -1.093 -0.685 0.00 0.00 +0.037 A ATOM 5 C UNK A 0 1.007 -2.062 -1.424 0.00 0.00 +0.016 A ATOM 6 C UNK A 0 -0.386 -2.144 -1.352 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C UNK A 0 3.177 -1.039 -0.791 0.00 0.00 +0.245 C ATOM 8 N VAL A 1 3.850 -0.470 0.266 0.00 0.00 -0.298 N ATOM 9 H VAL A 1 3.365 -0.318 1.145 0.00 0.00 +0.150 HD ATOM 10 O UNK A 0 3.748 -1.507 -1.769 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 CA VAL A 1 5.309 -0.460 0.337 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 CB VAL A 1 5.920 0.913 -0.016 0.00 0.00 +0.014 C ATOM 13 CG2 VAL A 1 5.342 2.063 0.817 0.00 0.00 +0.009 C ATOM 14 CG1 VAL A 1 5.765 1.226 -1.507 0.00 0.00 +0.009 C ENDBRANCH 11 12 BRANCH 11 15 ATOM 15 C VAL A 1 5.718 -0.895 1.751 0.00 0.00 +0.326 C ATOM 16 O VAL A 1 4.998 -0.773 2.735 0.00 0.00 -0.249 OA BRANCH 15 17 ATOM 17 OXT VAL A 1 6.967 -1.410 1.830 0.00 0.00 -0.479 OA ATOM 18 HXT VAL A 1 7.425 -1.485 0.970 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 -2.465 -1.454 -0.581 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C UNK A 0 -3.291 -0.723 0.328 0.00 0.00 +0.229 C BRANCH 20 21 ATOM 21 C UNK A 0 -3.762 0.583 -0.314 0.00 0.00 +0.041 C BRANCH 21 22 ATOM 22 C UNK A 0 -4.685 1.401 0.591 0.00 0.00 +0.003 C BRANCH 22 23 ATOM 23 C UNK A 0 -6.181 1.226 0.308 0.00 0.00 -0.000 C BRANCH 23 25 ATOM 24 C UNK A 0 -8.220 -0.248 0.422 0.00 0.00 +0.004 C ATOM 25 C UNK A 0 -6.706 -0.186 0.558 0.00 0.00 -0.003 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11