REMARK Name = BDB045018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N UNK A 0 1.780 0.253 2.103 0.00 0.00 -0.294 N ATOM 2 C UNK A 0 0.752 -0.461 1.470 0.00 0.00 +0.220 C ATOM 3 O UNK A 0 0.816 -1.682 1.305 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C UNK A 0 -0.441 0.344 0.946 0.00 0.00 +0.090 C ATOM 5 C UNK A 0 -1.693 -0.527 0.734 0.00 0.00 +0.028 C ATOM 6 C UNK A 0 -2.660 0.189 -0.213 0.00 0.00 +0.089 C ATOM 7 C UNK A 0 -2.006 0.340 -1.595 0.00 0.00 +0.093 C ATOM 8 N UNK A 0 -0.551 0.506 -1.563 0.00 0.00 -0.315 NA ATOM 9 H UNK A 0 -0.228 1.019 -2.382 0.00 0.00 +0.122 HD ATOM 10 C UNK A 0 -0.051 1.117 -0.333 0.00 0.00 +0.093 C BRANCH 6 11 ATOM 11 C UNK A 0 -4.010 -0.512 -0.306 0.00 0.00 +0.218 C ATOM 12 N LEU A 1 -4.921 0.132 -1.120 0.00 0.00 -0.310 N ATOM 13 H LEU A 1 -4.676 1.048 -1.474 0.00 0.00 +0.149 HD ATOM 14 O UNK A 0 -4.286 -1.534 0.315 0.00 0.00 -0.275 OA BRANCH 12 15 ATOM 15 CA LEU A 1 -6.345 -0.242 -1.223 0.00 0.00 +0.098 C BRANCH 15 16 ATOM 16 CB LEU A 1 -7.076 0.166 0.076 0.00 0.00 +0.027 C BRANCH 16 17 ATOM 17 CG LEU A 1 -8.590 0.431 -0.063 0.00 0.00 -0.015 C ATOM 18 CD2 LEU A 1 -9.422 -0.846 -0.191 0.00 0.00 +0.007 C ATOM 19 CD1 LEU A 1 -9.082 1.224 1.156 0.00 0.00 +0.007 C ENDBRANCH 16 17 ENDBRANCH 15 16 BRANCH 15 20 ATOM 20 C LEU A 1 -6.526 -1.712 -1.664 0.00 0.00 +0.178 C BRANCH 20 21 ATOM 21 O LEU A 1 -6.519 -2.627 -0.575 0.00 0.00 -0.393 OA ATOM 22 H LEU A 1 -5.669 -2.478 -0.103 0.00 0.00 +0.209 HD ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 12 15 ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 23 ATOM 23 C UNK A 0 1.740 1.671 2.385 0.00 0.00 +0.077 C ATOM 24 C UNK A 0 0.796 2.246 3.412 0.00 0.00 +0.024 C ATOM 25 C UNK A 0 2.265 2.242 3.682 0.00 0.00 +0.024 C ENDBRANCH 1 23 BRANCH 1 26 ATOM 26 C UNK A 0 3.074 -0.421 2.242 0.00 0.00 +0.145 C BRANCH 26 33 ATOM 27 N UNK A 0 4.757 0.029 -1.009 0.00 0.00 -0.346 N ATOM 28 C UNK A 0 5.529 0.896 -0.263 0.00 0.00 +0.049 A ATOM 29 C UNK A 0 5.043 0.847 1.048 0.00 0.00 +0.005 A ATOM 30 C UNK A 0 5.668 1.645 2.028 0.00 0.00 +0.010 A ATOM 31 C UNK A 0 6.749 2.461 1.677 0.00 0.00 +0.001 A ATOM 32 C UNK A 0 7.210 2.495 0.366 0.00 0.00 +0.002 A ATOM 33 C UNK A 0 3.937 -0.064 1.069 0.00 0.00 -0.005 A ATOM 34 C UNK A 0 6.610 1.716 -0.626 0.00 0.00 +0.026 A ATOM 35 C UNK A 0 3.800 -0.548 -0.220 0.00 0.00 +0.092 A BRANCH 27 36 ATOM 36 C UNK A 0 4.900 -0.228 -2.433 0.00 0.00 +0.124 C BRANCH 36 37 ATOM 37 C UNK A 0 6.047 -1.176 -2.767 0.00 0.00 +0.049 C BRANCH 37 38 ATOM 38 C UNK A 0 5.810 -2.596 -2.257 0.00 0.00 +0.161 C BRANCH 38 40 ATOM 39 C UNK A 0 7.985 -3.484 -1.925 0.00 0.00 +0.193 C ATOM 40 O UNK A 0 6.826 -3.471 -2.748 0.00 0.00 -0.383 OA ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 27 36 ENDBRANCH 26 33 ENDBRANCH 1 26 TORSDOF 14