REMARK Name = BDB058799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.185 -0.886 0.147 0.00 0.00 +0.036 A ATOM 2 C UNK A 0 0.081 -1.169 -0.459 0.00 0.00 +0.005 A ATOM 3 C UNK A 0 0.779 -0.149 -1.161 0.00 0.00 +0.007 A ATOM 4 C UNK A 0 2.015 -0.465 -1.774 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 2.573 -1.739 -1.695 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 1.912 -2.731 -0.991 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 0.220 1.149 -1.219 0.00 0.00 +0.060 A ATOM 8 C UNK A 0 -1.022 1.408 -0.644 0.00 0.00 +0.027 A ATOM 9 C UNK A 0 0.690 -2.448 -0.381 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -1.702 0.409 0.046 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 11 N ILE A 1 -1.838 -1.910 0.865 0.00 0.00 -0.331 N ATOM 12 H ILE A 1 -1.860 -2.754 0.296 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA ILE A 1 -3.112 -1.723 1.621 0.00 0.00 +0.183 C BRANCH 13 14 ATOM 14 CB ILE A 1 -4.340 -2.312 0.871 0.00 0.00 +0.017 C ATOM 15 CG2 ILE A 1 -5.639 -1.781 1.508 0.00 0.00 +0.010 C BRANCH 14 17 ATOM 16 CD1 ILE A 1 -5.491 -2.664 -1.412 0.00 0.00 +0.004 C ATOM 17 CG1 ILE A 1 -4.346 -2.003 -0.647 0.00 0.00 +0.002 C ENDBRANCH 14 17 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 C ILE A 1 -2.887 -2.430 2.991 0.00 0.00 +0.325 C ATOM 19 O ILE A 1 -3.751 -2.779 3.779 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT ILE A 1 -1.558 -2.600 3.243 0.00 0.00 -0.479 OA ATOM 21 HXT ILE A 1 -1.079 -2.257 2.446 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 0.916 2.199 -1.925 0.00 0.00 -0.192 N BRANCH 22 23 ATOM 23 S UNK A 0 1.437 3.537 -1.015 0.00 0.00 +0.075 S ATOM 24 O UNK A 0 2.240 4.342 -1.922 0.00 0.00 -0.150 OA ATOM 25 O UNK A 0 0.306 4.120 -0.328 0.00 0.00 -0.150 OA BRANCH 23 26 ATOM 26 C UNK A 0 2.526 2.807 0.182 0.00 0.00 +0.109 A ATOM 27 C UNK A 0 2.099 2.642 1.500 0.00 0.00 +0.032 A ATOM 28 C UNK A 0 2.957 2.047 2.423 0.00 0.00 +0.047 A ATOM 29 C UNK A 0 4.239 1.625 2.046 0.00 0.00 +0.120 A ATOM 30 C UNK A 0 4.667 1.819 0.731 0.00 0.00 +0.047 A ATOM 31 C UNK A 0 3.811 2.410 -0.203 0.00 0.00 +0.032 A BRANCH 29 32 ATOM 32 O UNK A 0 4.964 1.054 3.054 0.00 0.00 -0.495 OA ATOM 33 C UNK A 0 6.252 0.553 2.718 0.00 0.00 +0.277 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 22 23 BRANCH 22 34 ATOM 34 C UNK A 0 0.405 2.520 -3.284 0.00 0.00 +0.251 C BRANCH 34 35 ATOM 35 C UNK A 0 1.506 2.354 -4.318 0.00 0.00 +0.324 C ATOM 36 O UNK A 0 1.481 1.499 -5.196 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O UNK A 0 2.539 3.222 -4.209 0.00 0.00 -0.479 OA ATOM 38 H UNK A 0 2.461 3.864 -3.461 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 22 34 ENDBRANCH 7 22 TORSDOF 13