REMARK Name = BDB058789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.258 -0.145 0.874 0.00 0.00 +0.060 A ATOM 2 C UNK A 0 -0.563 0.230 1.966 0.00 0.00 +0.007 A ATOM 3 C UNK A 0 -1.975 0.264 1.774 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -2.784 0.589 2.892 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 -2.248 0.902 4.141 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 -0.876 0.894 4.316 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -2.538 -0.035 0.489 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -1.682 -0.445 -0.540 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 -0.049 0.558 3.246 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -0.305 -0.492 -0.353 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N VAL A 1 -3.941 0.013 0.325 0.00 0.00 -0.331 N ATOM 12 H VAL A 1 -4.280 0.872 0.764 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA VAL A 1 -4.585 -0.150 -1.000 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 CB VAL A 1 -6.075 -0.528 -0.792 0.00 0.00 +0.014 C ATOM 15 CG2 VAL A 1 -6.727 -0.972 -2.106 0.00 0.00 +0.009 C ATOM 16 CG1 VAL A 1 -6.921 0.574 -0.143 0.00 0.00 +0.009 C ENDBRANCH 13 14 BRANCH 13 17 ATOM 17 C VAL A 1 -4.429 1.130 -1.831 0.00 0.00 +0.325 C ATOM 18 O VAL A 1 -4.497 2.279 -1.420 0.00 0.00 -0.249 OA BRANCH 17 19 ATOM 19 OXT VAL A 1 -4.208 0.890 -3.141 0.00 0.00 -0.479 OA ATOM 20 HXT VAL A 1 -4.107 1.786 -3.526 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 21 ATOM 21 N UNK A 0 1.692 -0.250 0.933 0.00 0.00 -0.192 N BRANCH 21 22 ATOM 22 S UNK A 0 2.561 1.210 0.899 0.00 0.00 +0.075 S ATOM 23 O UNK A 0 1.825 2.207 0.151 0.00 0.00 -0.150 OA ATOM 24 O UNK A 0 3.042 1.482 2.239 0.00 0.00 -0.150 OA BRANCH 22 28 ATOM 25 C UNK A 0 6.177 0.119 -1.679 0.00 0.00 +0.120 A ATOM 26 C UNK A 0 4.918 0.308 -2.260 0.00 0.00 +0.047 A ATOM 27 C UNK A 0 3.816 0.649 -1.476 0.00 0.00 +0.032 A ATOM 28 C UNK A 0 3.976 0.789 -0.096 0.00 0.00 +0.109 A ATOM 29 C UNK A 0 5.231 0.626 0.495 0.00 0.00 +0.032 A ATOM 30 C UNK A 0 6.330 0.283 -0.300 0.00 0.00 +0.047 A BRANCH 25 32 ATOM 31 C UNK A 0 8.476 -0.375 -2.033 0.00 0.00 +0.277 C ATOM 32 O UNK A 0 7.164 -0.222 -2.562 0.00 0.00 -0.495 OA ENDBRANCH 25 32 ENDBRANCH 22 28 ENDBRANCH 21 22 BRANCH 21 33 ATOM 33 C UNK A 0 2.250 -1.382 1.711 0.00 0.00 +0.251 C BRANCH 33 34 ATOM 34 C UNK A 0 3.299 -2.157 0.954 0.00 0.00 +0.324 C ATOM 35 O UNK A 0 4.331 -2.608 1.428 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 O UNK A 0 2.997 -2.374 -0.343 0.00 0.00 -0.479 OA ATOM 37 H UNK A 0 3.778 -2.848 -0.700 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 21 33 ENDBRANCH 1 21 TORSDOF 12