REMARK Name = BDB058696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.279 -0.713 0.088 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.575 -1.344 -0.428 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.673 -2.345 -1.467 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -5.025 -2.617 -1.669 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -5.490 -3.556 -2.603 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.538 -4.234 -3.364 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.179 -3.983 -3.208 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -5.058 -5.406 -4.518 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -5.727 -1.796 -0.827 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -6.739 -1.742 -0.775 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.737 -3.037 -2.270 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -4.885 -1.035 -0.045 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -5.450 -0.082 0.880 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -6.462 0.566 0.651 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -4.768 0.024 2.037 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -4.144 -0.724 2.204 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -2.281 1.281 -1.368 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -3.096 1.513 -0.812 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -1.627 0.087 -1.092 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -0.670 -0.313 -1.748 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -2.949 3.370 -2.426 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -1.906 2.235 -2.424 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -0.523 2.842 -2.132 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -1.915 1.571 -3.809 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -1.532 -1.751 0.826 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -2.050 -2.221 2.017 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -3.094 -1.832 2.534 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 -0.180 -2.149 0.442 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 0.913 -1.227 0.941 0.00 0.00 -0.030 A ATOM 30 C LIG 1 1.040 -0.891 2.296 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.122 -0.123 2.740 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.107 0.306 1.849 0.00 0.00 +0.121 A ATOM 33 C LIG 1 2.977 0.005 0.495 0.00 0.00 +0.046 A ATOM 34 C LIG 1 1.892 -0.760 0.048 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 O LIG 1 4.137 1.010 2.413 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 5.346 1.083 1.644 0.00 0.00 +0.266 C BRANCH 36 37 ATOM 37 C LIG 1 6.513 1.578 2.478 0.00 0.00 +0.008 A ATOM 38 C LIG 1 7.817 1.579 1.951 0.00 0.00 +0.047 A ATOM 39 CL LIG 1 8.147 1.023 0.345 0.00 0.00 -0.083 Cl ATOM 40 C LIG 1 8.899 2.038 2.711 0.00 0.00 +0.020 A ATOM 41 C LIG 1 8.695 2.509 4.007 0.00 0.00 +0.001 A ATOM 42 C LIG 1 7.410 2.526 4.543 0.00 0.00 +0.000 A ATOM 43 C LIG 1 6.329 2.066 3.785 0.00 0.00 +0.008 A ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11