REMARK Name = BDB008081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.449 0.105 -0.374 0.00 0.00 +0.174 C ENDROOT BRANCH 1 3 ATOM 2 C UNK A 0 0.089 2.683 -0.147 0.00 0.00 +0.131 A ATOM 3 C UNK A 0 0.322 1.529 -0.905 0.00 0.00 +0.018 A ATOM 4 C UNK A 0 0.454 1.958 -2.277 0.00 0.00 +0.006 A ATOM 5 C UNK A 0 0.246 3.334 -2.316 0.00 0.00 +0.049 A ATOM 6 C UNK A 0 0.300 4.085 -3.498 0.00 0.00 +0.046 A ATOM 7 C UNK A 0 0.579 3.401 -4.683 0.00 0.00 +0.043 A ATOM 8 C UNK A 0 0.795 2.028 -4.690 0.00 0.00 +0.021 A ATOM 9 CL UNK A 0 0.658 4.281 -6.163 0.00 0.00 -0.083 Cl ATOM 10 C UNK A 0 0.735 1.300 -3.495 0.00 0.00 +0.012 A ATOM 11 N UNK A 0 -0.004 3.735 -1.032 0.00 0.00 -0.349 N ATOM 12 H UNK A 0 -0.192 4.688 -0.751 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C UNK A 0 -0.037 2.861 1.283 0.00 0.00 +0.356 C ATOM 14 O UNK A 0 0.226 2.026 2.140 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O UNK A 0 -0.463 4.130 1.543 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C UNK A 0 -1.992 4.044 3.421 0.00 0.00 +0.048 C ATOM 17 C UNK A 0 -0.621 4.468 2.930 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C UNK A 0 -0.644 -0.837 -0.957 0.00 0.00 +0.235 C ATOM 19 N UNK A 0 -1.184 -1.705 -0.024 0.00 0.00 -0.310 N ATOM 20 H UNK A 0 -0.741 -1.811 0.886 0.00 0.00 +0.149 HD ATOM 21 O UNK A 0 -1.018 -0.836 -2.128 0.00 0.00 -0.274 OA BRANCH 19 22 ATOM 22 C UNK A 0 -2.244 -2.628 -0.348 0.00 0.00 +0.139 C BRANCH 22 23 ATOM 23 C UNK A 0 -3.561 -2.120 0.175 0.00 0.00 -0.030 A ATOM 24 C UNK A 0 -4.304 -1.193 -0.571 0.00 0.00 +0.005 A ATOM 25 C UNK A 0 -5.518 -0.704 -0.086 0.00 0.00 +0.000 A ATOM 26 C UNK A 0 -5.997 -1.129 1.152 0.00 0.00 +0.000 A ATOM 27 C UNK A 0 -5.260 -2.039 1.908 0.00 0.00 +0.000 A ATOM 28 C UNK A 0 -4.045 -2.530 1.425 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 29 ATOM 29 N LEU A 1 1.834 -0.349 -0.660 0.00 0.00 -0.291 NA ATOM 30 H LEU A 1 2.456 0.412 -0.390 0.00 0.00 +0.124 HD BRANCH 29 31 ATOM 31 CA LEU A 1 2.289 -1.593 0.005 0.00 0.00 +0.141 C BRANCH 31 32 ATOM 32 C LEU A 1 1.793 -1.671 1.467 0.00 0.00 +0.230 C ATOM 33 N GLY A 2 2.412 -0.778 2.317 0.00 0.00 -0.312 N ATOM 34 H GLY A 2 2.922 -0.005 1.901 0.00 0.00 +0.149 HD ATOM 35 O LEU A 1 0.864 -2.393 1.826 0.00 0.00 -0.274 OA BRANCH 33 36 ATOM 36 CA GLY A 2 1.883 -0.552 3.650 0.00 0.00 +0.132 C BRANCH 36 37 ATOM 37 C GLY A 2 2.608 0.601 4.337 0.00 0.00 +0.174 C BRANCH 37 38 ATOM 38 O GLY A 2 2.571 1.768 3.513 0.00 0.00 -0.393 OA ATOM 39 H GLY A 2 1.650 1.856 3.185 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 31 32 BRANCH 31 40 ATOM 40 CB LEU A 1 1.985 -2.890 -0.772 0.00 0.00 +0.031 C BRANCH 40 41 ATOM 41 CG LEU A 1 2.910 -3.166 -1.978 0.00 0.00 -0.015 C ATOM 42 CD2 LEU A 1 2.740 -2.163 -3.117 0.00 0.00 +0.007 C ATOM 43 CD1 LEU A 1 2.650 -4.581 -2.507 0.00 0.00 +0.007 C ENDBRANCH 40 41 ENDBRANCH 31 40 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 15