REMARK Name = BDB058787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.396 -0.248 -0.186 0.00 0.00 +0.060 A ATOM 2 C UNK A 0 -0.126 -0.773 -1.471 0.00 0.00 +0.007 A ATOM 3 C UNK A 0 1.221 -0.833 -1.929 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 1.445 -1.409 -3.207 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 0.405 -1.875 -4.014 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 -0.902 -1.787 -3.569 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 2.277 -0.327 -1.103 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 1.963 0.102 0.195 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 -1.162 -1.244 -2.312 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 0.648 0.148 0.649 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N LEU A 1 3.615 -0.394 -1.537 0.00 0.00 -0.331 N ATOM 12 H LEU A 1 3.687 -0.358 -2.555 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA LEU A 1 4.673 0.455 -0.930 0.00 0.00 +0.180 C BRANCH 13 14 ATOM 14 C LEU A 1 5.575 0.976 -2.062 0.00 0.00 +0.325 C ATOM 15 O LEU A 1 5.566 0.590 -3.223 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT LEU A 1 6.397 1.977 -1.691 0.00 0.00 -0.479 OA ATOM 17 HXT LEU A 1 6.872 2.215 -2.515 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 CB LEU A 1 5.476 -0.415 0.054 0.00 0.00 +0.036 C BRANCH 18 19 ATOM 19 CG LEU A 1 6.420 0.339 1.012 0.00 0.00 -0.015 C ATOM 20 CD2 LEU A 1 5.677 1.329 1.911 0.00 0.00 +0.007 C ATOM 21 CD1 LEU A 1 7.182 -0.668 1.880 0.00 0.00 +0.007 C ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 22 ATOM 22 N UNK A 0 -1.757 -0.259 0.320 0.00 0.00 -0.192 N BRANCH 22 23 ATOM 23 S UNK A 0 -2.325 1.274 0.835 0.00 0.00 +0.075 S ATOM 24 O UNK A 0 -2.037 1.399 2.250 0.00 0.00 -0.150 OA ATOM 25 O UNK A 0 -1.889 2.289 -0.103 0.00 0.00 -0.150 OA BRANCH 23 29 ATOM 26 C UNK A 0 -6.852 0.951 0.309 0.00 0.00 +0.120 A ATOM 27 C UNK A 0 -6.006 1.003 -0.804 0.00 0.00 +0.047 A ATOM 28 C UNK A 0 -4.624 1.109 -0.644 0.00 0.00 +0.032 A ATOM 29 C UNK A 0 -4.086 1.150 0.644 0.00 0.00 +0.109 A ATOM 30 C UNK A 0 -4.920 1.121 1.764 0.00 0.00 +0.032 A ATOM 31 C UNK A 0 -6.304 1.014 1.593 0.00 0.00 +0.047 A BRANCH 26 33 ATOM 32 C UNK A 0 -9.092 0.846 1.102 0.00 0.00 +0.277 C ATOM 33 O UNK A 0 -8.181 0.835 0.009 0.00 0.00 -0.495 OA ENDBRANCH 26 33 ENDBRANCH 23 29 ENDBRANCH 22 23 BRANCH 22 34 ATOM 34 C UNK A 0 -2.039 -1.404 1.236 0.00 0.00 +0.251 C BRANCH 34 35 ATOM 35 C UNK A 0 -3.470 -1.870 1.227 0.00 0.00 +0.324 C ATOM 36 O UNK A 0 -4.146 -2.126 2.212 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O UNK A 0 -3.984 -2.032 -0.009 0.00 0.00 -0.479 OA ATOM 38 H UNK A 0 -4.918 -2.290 0.141 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 22 34 ENDBRANCH 1 22 TORSDOF 13