REMARK Name = BDB058768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.526 -1.017 0.541 0.00 0.00 +0.036 A ATOM 2 C UNK A 0 -0.466 -1.926 0.210 0.00 0.00 +0.005 A ATOM 3 C UNK A 0 0.665 -2.045 1.069 0.00 0.00 +0.006 A ATOM 4 C UNK A 0 1.721 -2.914 0.696 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 1.678 -3.669 -0.474 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 0.572 -3.582 -1.299 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 0.694 -1.290 2.267 0.00 0.00 +0.056 A ATOM 8 C UNK A 0 -0.369 -0.464 2.613 0.00 0.00 +0.027 A ATOM 9 C UNK A 0 -0.479 -2.728 -0.960 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -1.468 -0.345 1.770 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 11 N ILE A 1 -2.642 -0.894 -0.292 0.00 0.00 -0.331 N ATOM 12 H ILE A 1 -2.474 -1.150 -1.264 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA ILE A 1 -3.644 0.188 -0.204 0.00 0.00 +0.183 C BRANCH 13 14 ATOM 14 CB ILE A 1 -3.036 1.568 -0.582 0.00 0.00 +0.017 C ATOM 15 CG2 ILE A 1 -2.547 1.632 -2.038 0.00 0.00 +0.010 C BRANCH 14 17 ATOM 16 CD1 ILE A 1 -4.341 2.938 1.153 0.00 0.00 +0.004 C ATOM 17 CG1 ILE A 1 -3.991 2.751 -0.317 0.00 0.00 +0.002 C ENDBRANCH 14 17 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 C ILE A 1 -4.823 -0.180 -1.138 0.00 0.00 +0.325 C ATOM 19 O ILE A 1 -4.686 -0.707 -2.236 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT ILE A 1 -6.045 0.141 -0.650 0.00 0.00 -0.479 OA ATOM 21 HXT ILE A 1 -6.045 0.503 0.255 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 22 ATOM 22 N UNK A 0 1.823 -1.315 3.142 0.00 0.00 -0.216 N ATOM 23 H UNK A 0 2.316 -2.194 3.276 0.00 0.00 +0.174 HD BRANCH 22 24 ATOM 24 S UNK A 0 2.836 0.033 3.217 0.00 0.00 +0.072 S ATOM 25 O UNK A 0 4.020 -0.402 3.930 0.00 0.00 -0.150 OA ATOM 26 O UNK A 0 2.076 1.181 3.663 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C UNK A 0 3.301 0.304 1.522 0.00 0.00 +0.109 A ATOM 28 C UNK A 0 4.443 -0.317 1.009 0.00 0.00 +0.032 A ATOM 29 C UNK A 0 4.811 -0.101 -0.323 0.00 0.00 +0.047 A ATOM 30 C UNK A 0 4.048 0.742 -1.135 0.00 0.00 +0.120 A ATOM 31 C UNK A 0 2.920 1.375 -0.602 0.00 0.00 +0.047 A ATOM 32 C UNK A 0 2.546 1.168 0.727 0.00 0.00 +0.032 A BRANCH 30 33 ATOM 33 O UNK A 0 4.297 1.035 -2.447 0.00 0.00 -0.495 OA ATOM 34 C UNK A 0 5.421 0.404 -3.047 0.00 0.00 +0.277 C ENDBRANCH 30 33 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 7 22 TORSDOF 10