REMARK Name = BDB054936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.236 -0.844 1.140 0.00 0.00 +0.226 C ATOM 2 N UNK A 0 -1.223 -0.194 0.441 0.00 0.00 -0.303 N ATOM 3 H UNK A 0 -1.065 0.720 0.026 0.00 0.00 +0.149 HD ATOM 4 O UNK A 0 -0.380 -1.991 1.562 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 5 C UNK A 0 1.029 -0.023 1.367 0.00 0.00 +0.166 C BRANCH 5 8 ATOM 6 N LEU A 1 3.245 0.428 0.423 0.00 0.00 -0.310 N ATOM 7 H LEU A 1 3.464 0.849 1.318 0.00 0.00 +0.149 HD ATOM 8 C UNK A 0 2.114 -0.364 0.356 0.00 0.00 +0.226 C ATOM 9 O UNK A 0 1.983 -1.246 -0.490 0.00 0.00 -0.275 OA BRANCH 6 10 ATOM 10 CA LEU A 1 4.431 0.101 -0.384 0.00 0.00 +0.099 C BRANCH 10 11 ATOM 11 CB LEU A 1 5.288 1.373 -0.558 0.00 0.00 +0.027 C BRANCH 11 13 ATOM 12 CD1 LEU A 1 6.680 2.858 -2.033 0.00 0.00 +0.007 C ATOM 13 CG LEU A 1 5.949 1.515 -1.946 0.00 0.00 -0.015 C ATOM 14 CD2 LEU A 1 6.918 0.382 -2.275 0.00 0.00 +0.007 C ENDBRANCH 11 13 ENDBRANCH 10 11 BRANCH 10 15 ATOM 15 C LEU A 1 5.194 -1.058 0.295 0.00 0.00 +0.178 C BRANCH 15 16 ATOM 16 O LEU A 1 5.630 -0.663 1.598 0.00 0.00 -0.393 OA ATOM 17 H LEU A 1 5.650 -1.479 2.137 0.00 0.00 +0.209 HD ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 6 10 ENDBRANCH 5 8 BRANCH 5 18 ATOM 18 C UNK A 0 1.478 -0.153 2.834 0.00 0.00 +0.077 C BRANCH 18 19 ATOM 19 C UNK A 0 2.331 -1.338 3.145 0.00 0.00 +0.037 A ATOM 20 N UNK A 0 2.000 -2.628 2.803 0.00 0.00 -0.348 N ATOM 21 H UNK A 0 1.152 -2.917 2.322 0.00 0.00 +0.166 HD ATOM 22 C UNK A 0 3.040 -3.431 3.173 0.00 0.00 +0.196 A ATOM 23 N UNK A 0 3.995 -2.745 3.759 0.00 0.00 -0.244 NA ATOM 24 C UNK A 0 3.545 -1.451 3.787 0.00 0.00 +0.133 A ENDBRANCH 18 19 ENDBRANCH 5 18 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C UNK A 0 -2.505 -0.817 0.120 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 C UNK A 0 -3.571 0.291 0.006 0.00 0.00 +0.234 C ATOM 27 N UNK A 0 -4.873 -0.167 -0.044 0.00 0.00 -0.313 N ATOM 28 H UNK A 0 -5.057 -1.154 0.077 0.00 0.00 +0.149 HD ATOM 29 O UNK A 0 -3.276 1.485 -0.030 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C UNK A 0 -6.010 0.731 -0.123 0.00 0.00 +0.110 C BRANCH 30 31 ATOM 31 C UNK A 0 -6.704 0.987 1.238 0.00 0.00 -0.022 C ATOM 32 C UNK A 0 -7.911 1.914 0.996 0.00 0.00 +0.012 C ATOM 33 C UNK A 0 -7.211 -0.331 1.848 0.00 0.00 +0.012 C ATOM 34 C UNK A 0 -5.752 1.672 2.231 0.00 0.00 +0.012 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C UNK A 0 -2.442 -1.708 -1.133 0.00 0.00 +0.067 C BRANCH 35 36 ATOM 36 C UNK A 0 -1.999 -1.000 -2.394 0.00 0.00 -0.045 A ATOM 37 C UNK A 0 -0.650 -1.017 -2.775 0.00 0.00 +0.004 A ATOM 38 C UNK A 0 -0.228 -0.349 -3.925 0.00 0.00 +0.000 A ATOM 39 C UNK A 0 -1.150 0.341 -4.709 0.00 0.00 +0.000 A ATOM 40 C UNK A 0 -2.494 0.361 -4.344 0.00 0.00 +0.000 A ATOM 41 C UNK A 0 -2.918 -0.307 -3.193 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 2 25 TORSDOF 15