REMARK Name = BDB015833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 1.561 -1.729 -1.671 0.00 0.00 +0.106 C ENDROOT BRANCH 1 2 ATOM 2 N UNK A 0 2.721 -1.718 -0.766 0.00 0.00 -0.308 N ATOM 3 H UNK A 0 2.511 -1.606 0.217 0.00 0.00 +0.149 HD ATOM 4 C UNK A 0 3.941 -2.220 -1.132 0.00 0.00 +0.234 C ATOM 5 O UNK A 0 4.140 -2.681 -2.261 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 C UNK A 0 5.109 -2.126 -0.114 0.00 0.00 +0.161 C BRANCH 6 7 ATOM 7 N UNK A 0 6.210 -1.394 -0.746 0.00 0.00 -0.303 N ATOM 8 H UNK A 0 6.916 -1.962 -1.196 0.00 0.00 +0.149 HD ATOM 9 C UNK A 0 6.066 -0.096 -1.199 0.00 0.00 +0.218 C ATOM 10 O UNK A 0 5.045 0.571 -1.043 0.00 0.00 -0.275 OA BRANCH 9 11 ATOM 11 C UNK A 0 7.290 0.449 -1.916 0.00 0.00 +0.131 C BRANCH 11 12 ATOM 12 C UNK A 0 8.088 1.388 -1.045 0.00 0.00 -0.035 A ATOM 13 C UNK A 0 7.752 2.753 -0.982 0.00 0.00 +0.050 A ATOM 14 C UNK A 0 8.472 3.625 -0.164 0.00 0.00 +0.130 A ATOM 15 C UNK A 0 9.531 3.124 0.602 0.00 0.00 +0.046 A ATOM 16 C UNK A 0 9.868 1.771 0.554 0.00 0.00 +0.004 A ATOM 17 C UNK A 0 9.146 0.904 -0.264 0.00 0.00 +0.004 A BRANCH 14 18 ATOM 18 O UNK A 0 8.251 4.964 -0.008 0.00 0.00 -0.406 OA BRANCH 18 19 ATOM 19 C UNK A 0 7.258 5.568 -0.819 0.00 0.00 +0.575 C ATOM 20 F UNK A 0 7.549 5.430 -2.130 0.00 0.00 -0.133 F ATOM 21 F UNK A 0 6.036 5.054 -0.567 0.00 0.00 -0.133 F ATOM 22 F UNK A 0 7.220 6.890 -0.536 0.00 0.00 -0.133 F ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 23 ATOM 23 C UNK A 0 4.913 -1.788 1.384 0.00 0.00 +0.012 C ATOM 24 C UNK A 0 4.452 -0.371 1.723 0.00 0.00 +0.009 C ATOM 25 C UNK A 0 4.039 -2.824 2.102 0.00 0.00 +0.009 C ENDBRANCH 6 23 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 26 ATOM 26 C UNK A 0 0.560 -0.634 -1.212 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 O UNK A 0 1.273 0.603 -1.015 0.00 0.00 -0.390 OA ATOM 28 H UNK A 0 2.230 0.395 -0.986 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C UNK A 0 -0.546 -0.353 -2.240 0.00 0.00 +0.042 C BRANCH 29 30 ATOM 30 C UNK A 0 -1.534 0.726 -1.781 0.00 0.00 +0.098 C BRANCH 30 33 ATOM 31 N VAL A 1 -3.298 1.217 -0.203 0.00 0.00 -0.304 N ATOM 32 H VAL A 1 -3.373 2.072 -0.745 0.00 0.00 +0.149 HD ATOM 33 C UNK A 0 -2.494 0.226 -0.719 0.00 0.00 +0.214 C ATOM 34 O UNK A 0 -2.563 -0.948 -0.367 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 CA VAL A 1 -4.457 0.897 0.625 0.00 0.00 +0.162 C BRANCH 35 36 ATOM 36 C VAL A 1 -5.741 1.187 -0.186 0.00 0.00 +0.234 C ATOM 37 N VAL A 1 -6.884 0.607 0.322 0.00 0.00 -0.301 N ATOM 38 H VAL A 1 -6.857 0.281 1.282 0.00 0.00 +0.150 HD ATOM 39 O VAL A 1 -5.740 1.883 -1.200 0.00 0.00 -0.274 OA BRANCH 37 40 ATOM 40 CA VAL A 1 -8.213 0.945 -0.205 0.00 0.00 +0.184 C BRANCH 40 41 ATOM 41 CB VAL A 1 -9.150 -0.280 -0.142 0.00 0.00 +0.014 C ATOM 42 CG2 VAL A 1 -10.567 0.050 -0.624 0.00 0.00 +0.009 C ATOM 43 CG1 VAL A 1 -8.593 -1.438 -0.981 0.00 0.00 +0.009 C ENDBRANCH 40 41 BRANCH 40 44 ATOM 44 C VAL A 1 -8.724 2.097 0.665 0.00 0.00 +0.326 C ATOM 45 O VAL A 1 -8.462 2.277 1.846 0.00 0.00 -0.249 OA BRANCH 44 46 ATOM 46 OXT VAL A 1 -9.546 2.941 0.011 0.00 0.00 -0.479 OA ATOM 47 HXT VAL A 1 -9.759 3.639 0.665 0.00 0.00 +0.295 HD ENDBRANCH 44 46 ENDBRANCH 40 44 ENDBRANCH 37 40 ENDBRANCH 35 36 BRANCH 35 48 ATOM 48 CB VAL A 1 -4.428 1.611 1.999 0.00 0.00 +0.015 C ATOM 49 CG2 VAL A 1 -3.483 0.852 2.945 0.00 0.00 +0.010 C BRANCH 48 51 ATOM 50 CD1 VAL A 1 -4.940 4.011 1.198 0.00 0.00 +0.004 C ATOM 51 CG1 VAL A 1 -4.014 3.098 1.982 0.00 0.00 +0.002 C ENDBRANCH 48 51 ENDBRANCH 35 48 ENDBRANCH 31 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 1 52 ATOM 52 C UNK A 0 0.964 -3.145 -1.842 0.00 0.00 +0.060 C BRANCH 52 53 ATOM 53 C UNK A 0 0.696 -3.900 -0.559 0.00 0.00 -0.046 A ATOM 54 C UNK A 0 1.639 -4.816 -0.069 0.00 0.00 +0.004 A ATOM 55 C UNK A 0 1.403 -5.516 1.116 0.00 0.00 +0.000 A ATOM 56 C UNK A 0 0.219 -5.312 1.821 0.00 0.00 +0.000 A ATOM 57 C UNK A 0 -0.729 -4.411 1.339 0.00 0.00 +0.000 A ATOM 58 C UNK A 0 -0.494 -3.712 0.153 0.00 0.00 +0.004 A ENDBRANCH 52 53 ENDBRANCH 1 52 TORSDOF 23