REMARK Name = BDB058792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.668 -2.431 0.132 0.00 0.00 +0.056 A ATOM 2 C UNK A 0 0.815 -1.395 1.084 0.00 0.00 +0.006 A ATOM 3 C UNK A 0 -0.154 -0.353 1.111 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -0.009 0.652 2.101 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 1.054 0.665 3.005 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 2.009 -0.335 2.954 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -1.229 -0.343 0.164 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -1.353 -1.421 -0.721 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 1.888 -1.353 2.009 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -0.410 -2.444 -0.748 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N UNK A 0 1.636 -3.476 0.006 0.00 0.00 -0.216 N ATOM 12 H UNK A 0 2.066 -3.844 0.850 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S UNK A 0 2.676 -3.478 -1.323 0.00 0.00 +0.072 S ATOM 14 O UNK A 0 3.698 -4.460 -1.023 0.00 0.00 -0.150 OA ATOM 15 O UNK A 0 1.902 -3.556 -2.543 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C UNK A 0 4.667 0.637 -1.174 0.00 0.00 +0.120 A ATOM 17 C UNK A 0 5.253 -0.449 -0.520 0.00 0.00 +0.047 A ATOM 18 C UNK A 0 4.646 -1.709 -0.566 0.00 0.00 +0.032 A ATOM 19 C UNK A 0 3.444 -1.874 -1.260 0.00 0.00 +0.109 A ATOM 20 C UNK A 0 2.864 -0.801 -1.938 0.00 0.00 +0.032 A ATOM 21 C UNK A 0 3.475 0.453 -1.883 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C UNK A 0 6.359 2.162 -0.491 0.00 0.00 +0.277 C ATOM 23 O UNK A 0 5.155 1.915 -1.205 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N LEU A 1 -2.169 0.708 0.200 0.00 0.00 -0.331 N ATOM 25 H LEU A 1 -1.665 1.593 0.289 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA LEU A 1 -3.234 0.842 -0.816 0.00 0.00 +0.180 C BRANCH 26 27 ATOM 27 C LEU A 1 -2.650 1.379 -2.128 0.00 0.00 +0.325 C ATOM 28 O LEU A 1 -1.741 2.188 -2.243 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 OXT LEU A 1 -3.271 0.891 -3.222 0.00 0.00 -0.479 OA ATOM 30 HXT LEU A 1 -2.795 1.309 -3.971 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 CB LEU A 1 -4.290 1.847 -0.318 0.00 0.00 +0.036 C BRANCH 31 32 ATOM 32 CG LEU A 1 -5.362 1.240 0.613 0.00 0.00 -0.015 C ATOM 33 CD2 LEU A 1 -4.786 0.674 1.911 0.00 0.00 +0.007 C ATOM 34 CD1 LEU A 1 -6.418 2.299 0.940 0.00 0.00 +0.007 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 10