REMARK Name = BDB053166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.231 -0.553 -2.079 0.00 0.00 +0.187 C ENDROOT BRANCH 1 2 ATOM 2 N UNK A 0 -0.627 0.591 -1.763 0.00 0.00 -0.301 N ATOM 3 H UNK A 0 -0.848 0.671 -0.775 0.00 0.00 +0.150 HD ATOM 4 C UNK A 0 -1.518 1.089 -2.681 0.00 0.00 +0.231 C ATOM 5 O UNK A 0 -1.481 0.766 -3.868 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 C UNK A 0 -2.660 1.981 -2.122 0.00 0.00 +0.141 C BRANCH 6 7 ATOM 7 N UNK A 0 -3.931 1.202 -2.082 0.00 0.00 -0.305 NA ATOM 8 H UNK A 0 -4.102 0.913 -3.053 0.00 0.00 +0.123 HD BRANCH 7 9 ATOM 9 C UNK A 0 -3.922 -0.018 -1.263 0.00 0.00 +0.086 C BRANCH 9 10 ATOM 10 C UNK A 0 -4.434 0.186 0.170 0.00 0.00 +0.050 C BRANCH 10 11 ATOM 11 C UNK A 0 -4.341 -1.104 0.956 0.00 0.00 -0.045 A ATOM 12 C UNK A 0 -3.140 -1.464 1.587 0.00 0.00 +0.025 A ATOM 13 C UNK A 0 -3.030 -2.679 2.272 0.00 0.00 +0.060 A ATOM 14 CL UNK A 0 -1.512 -3.055 3.007 0.00 0.00 -0.082 Cl ATOM 15 C UNK A 0 -4.128 -3.545 2.333 0.00 0.00 +0.059 A ATOM 16 CL UNK A 0 -4.068 -5.066 3.150 0.00 0.00 -0.082 Cl ATOM 17 C UNK A 0 -5.327 -3.191 1.709 0.00 0.00 +0.022 A ATOM 18 C UNK A 0 -5.432 -1.979 1.022 0.00 0.00 +0.005 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 6 7 BRANCH 6 19 ATOM 19 C UNK A 0 -2.384 2.737 -0.811 0.00 0.00 +0.039 C BRANCH 19 20 ATOM 20 C UNK A 0 -1.261 3.769 -0.916 0.00 0.00 +0.122 C BRANCH 20 21 ATOM 21 C UNK A 0 -1.601 4.893 -1.854 0.00 0.00 +0.305 C ATOM 22 O UNK A 0 -1.112 5.074 -2.956 0.00 0.00 -0.251 OA BRANCH 21 23 ATOM 23 O UNK A 0 -2.546 5.715 -1.367 0.00 0.00 -0.481 OA ATOM 24 H UNK A 0 -2.678 6.382 -2.073 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 6 19 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 27 ATOM 25 N UNK A 0 1.373 -2.334 -0.814 0.00 0.00 -0.305 N ATOM 26 H UNK A 0 1.865 -2.480 -1.698 0.00 0.00 +0.149 HD ATOM 27 C UNK A 0 0.616 -1.191 -0.729 0.00 0.00 +0.236 C ATOM 28 O UNK A 0 0.231 -0.716 0.343 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C UNK A 0 1.871 -3.028 0.372 0.00 0.00 +0.121 C ATOM 30 C UNK A 0 1.942 -4.527 0.096 0.00 0.00 +0.035 C BRANCH 29 31 ATOM 31 C UNK A 0 3.192 -2.329 0.813 0.00 0.00 +0.070 C ATOM 32 S UNK A 0 4.710 -2.996 0.546 0.00 0.00 -0.038 S BRANCH 31 33 ATOM 33 N VAL A 1 2.975 -1.070 1.364 0.00 0.00 -0.327 N ATOM 34 H VAL A 1 1.996 -0.843 1.546 0.00 0.00 +0.147 HD BRANCH 33 35 ATOM 35 CA VAL A 1 3.946 -0.231 2.095 0.00 0.00 +0.182 C BRANCH 35 37 ATOM 36 CG1 VAL A 1 4.922 2.112 2.279 0.00 0.00 +0.009 C ATOM 37 CB VAL A 1 3.774 1.259 1.728 0.00 0.00 +0.014 C ATOM 38 CG2 VAL A 1 2.432 1.859 2.164 0.00 0.00 +0.009 C ENDBRANCH 35 37 BRANCH 35 39 ATOM 39 C VAL A 1 3.766 -0.504 3.591 0.00 0.00 +0.325 C ATOM 40 O VAL A 1 2.722 -0.781 4.160 0.00 0.00 -0.249 OA BRANCH 39 41 ATOM 41 OXT VAL A 1 4.911 -0.395 4.294 0.00 0.00 -0.479 OA ATOM 42 HXT VAL A 1 4.650 -0.619 5.212 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 35 39 ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 1 27 BRANCH 1 43 ATOM 43 C UNK A 0 1.449 -0.196 -2.953 0.00 0.00 +0.141 C ATOM 44 C UNK A 0 2.446 0.732 -2.274 0.00 0.00 +0.040 C BRANCH 43 45 ATOM 45 O UNK A 0 2.134 -1.399 -3.336 0.00 0.00 -0.390 OA ATOM 46 H UNK A 0 2.736 -1.159 -4.064 0.00 0.00 +0.210 HD ENDBRANCH 43 45 ENDBRANCH 1 43 TORSDOF 20