REMARK Name = BDB053161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.130 -1.499 0.283 0.00 0.00 +0.187 C ENDROOT BRANCH 1 3 ATOM 2 C UNK A 0 -3.045 0.053 0.394 0.00 0.00 +0.231 C ATOM 3 N UNK A 0 -2.214 -0.762 -0.352 0.00 0.00 -0.301 N ATOM 4 H UNK A 0 -2.085 -0.560 -1.338 0.00 0.00 +0.150 HD ATOM 5 O UNK A 0 -3.008 0.077 1.620 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C UNK A 0 -4.003 0.904 -0.486 0.00 0.00 +0.141 C BRANCH 6 8 ATOM 7 C UNK A 0 -5.286 0.503 -2.522 0.00 0.00 +0.101 C ATOM 8 N UNK A 0 -4.862 -0.045 -1.239 0.00 0.00 -0.309 NA ATOM 9 H UNK A 0 -4.339 -0.908 -1.409 0.00 0.00 +0.122 HD ENDBRANCH 6 8 BRANCH 6 10 ATOM 10 C UNK A 0 -4.882 1.850 0.356 0.00 0.00 +0.039 C BRANCH 10 11 ATOM 11 C UNK A 0 -4.198 3.179 0.683 0.00 0.00 +0.122 C BRANCH 11 12 ATOM 12 C UNK A 0 -3.025 3.027 1.604 0.00 0.00 +0.305 C ATOM 13 O UNK A 0 -1.855 2.970 1.260 0.00 0.00 -0.251 OA BRANCH 12 14 ATOM 14 O UNK A 0 -3.386 2.923 2.894 0.00 0.00 -0.481 OA ATOM 15 H UNK A 0 -2.560 2.672 3.356 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C UNK A 0 0.061 -0.539 0.480 0.00 0.00 +0.236 C ATOM 17 N UNK A 0 0.780 -0.746 1.634 0.00 0.00 -0.305 N ATOM 18 H UNK A 0 0.497 -1.483 2.271 0.00 0.00 +0.149 HD ATOM 19 O UNK A 0 0.391 0.298 -0.365 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C UNK A 0 1.935 0.058 2.035 0.00 0.00 +0.121 C ATOM 21 C UNK A 0 1.730 0.595 3.450 0.00 0.00 +0.035 C BRANCH 20 22 ATOM 22 C UNK A 0 3.189 -0.825 1.842 0.00 0.00 +0.070 C ATOM 23 S UNK A 0 3.687 -1.951 2.989 0.00 0.00 -0.038 S BRANCH 22 24 ATOM 24 N VAL A 1 3.905 -0.789 0.677 0.00 0.00 -0.327 N ATOM 25 H VAL A 1 4.605 -1.526 0.619 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA VAL A 1 3.556 -0.163 -0.604 0.00 0.00 +0.182 C BRANCH 26 27 ATOM 27 CB VAL A 1 4.763 0.525 -1.285 0.00 0.00 +0.014 C ATOM 28 CG2 VAL A 1 5.992 -0.374 -1.452 0.00 0.00 +0.009 C ATOM 29 CG1 VAL A 1 5.158 1.793 -0.520 0.00 0.00 +0.009 C ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 C VAL A 1 2.947 -1.236 -1.524 0.00 0.00 +0.325 C ATOM 31 O VAL A 1 3.437 -2.342 -1.710 0.00 0.00 -0.249 OA BRANCH 30 32 ATOM 32 OXT VAL A 1 1.779 -0.882 -2.111 0.00 0.00 -0.479 OA ATOM 33 HXT VAL A 1 1.376 -0.062 -1.722 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 1 16 BRANCH 1 34 ATOM 34 C UNK A 0 -0.679 -2.691 -0.587 0.00 0.00 +0.141 C ATOM 35 C UNK A 0 -1.662 -3.852 -0.484 0.00 0.00 +0.040 C BRANCH 34 36 ATOM 36 O UNK A 0 -0.623 -2.309 -1.970 0.00 0.00 -0.390 OA ATOM 37 H UNK A 0 0.307 -2.072 -2.176 0.00 0.00 +0.210 HD ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 17