REMARK Name = BDB020370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.050 0.580 2.137 0.00 0.00 -0.282 N ATOM 2 C LIG 1 1.334 1.864 2.101 0.00 0.00 +0.141 C ATOM 3 C LIG 1 0.209 1.856 1.046 0.00 0.00 +0.179 C ATOM 4 N LIG 1 -0.645 0.644 1.154 0.00 0.00 -0.286 N ATOM 5 C LIG 1 -1.961 0.765 0.722 0.00 0.00 +0.233 C ATOM 6 O LIG 1 -2.466 1.876 0.524 0.00 0.00 -0.274 OA ATOM 7 C LIG 1 0.074 -0.637 1.306 0.00 0.00 +0.127 C ATOM 8 C LIG 1 1.165 -0.562 2.388 0.00 0.00 +0.128 C ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 4.865 0.687 -1.159 0.00 0.00 +0.040 C ATOM 10 C LIG 1 5.108 0.695 0.356 0.00 0.00 +0.102 C ATOM 11 C LIG 1 5.075 -0.683 1.032 0.00 0.00 +0.234 C ATOM 12 O LIG 1 3.696 -0.828 1.374 0.00 0.00 -0.455 OA ATOM 13 C LIG 1 3.242 0.448 1.480 0.00 0.00 +0.282 C ATOM 14 N LIG 1 3.966 1.403 0.985 0.00 0.00 -0.226 NA ATOM 15 C LIG 1 6.394 1.458 0.673 0.00 0.00 +0.040 C BRANCH 11 16 ATOM 16 C LIG 1 5.587 -1.868 0.243 0.00 0.00 -0.005 A ATOM 17 C LIG 1 4.733 -2.658 -0.543 0.00 0.00 +0.007 A ATOM 18 C LIG 1 5.232 -3.745 -1.263 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.587 -4.059 -1.206 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.448 -3.283 -0.433 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.952 -2.193 0.285 0.00 0.00 +0.007 A ENDBRANCH 11 16 ENDBRANCH 1 13 BRANCH 3 22 ATOM 22 C LIG 1 0.771 2.009 -0.390 0.00 0.00 +0.235 C ATOM 23 N LIG 1 1.321 3.243 -0.672 0.00 0.00 -0.309 N ATOM 24 H LIG 1 1.610 3.841 0.091 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 0.720 1.113 -1.232 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 1.955 3.470 -1.949 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 C LIG 1 2.392 4.897 -2.010 0.00 0.00 +0.007 A ATOM 28 S LIG 1 3.967 5.340 -1.497 0.00 0.00 -0.100 S ATOM 29 C LIG 1 3.683 6.990 -1.844 0.00 0.00 +0.045 A ATOM 30 C LIG 1 2.418 7.205 -2.341 0.00 0.00 +0.008 A ATOM 31 C LIG 1 1.670 5.996 -2.435 0.00 0.00 +0.013 A ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 3 22 BRANCH 5 32 ATOM 32 C LIG 1 -2.807 -0.524 0.545 0.00 0.00 +0.141 C BRANCH 32 33 ATOM 33 N LIG 1 -3.953 -0.264 -0.358 0.00 0.00 -0.303 NA ATOM 34 H LIG 1 -4.230 0.714 -0.230 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 -3.674 -0.526 -1.778 0.00 0.00 +0.054 C ATOM 36 C LIG 1 -5.019 -0.755 -2.494 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -5.840 0.523 -2.658 0.00 0.00 +0.002 C ATOM 38 C LIG 1 -5.038 1.611 -3.367 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -3.705 1.876 -2.674 0.00 0.00 +0.002 C ATOM 40 C LIG 1 -2.897 0.591 -2.495 0.00 0.00 +0.019 C ENDBRANCH 33 35 ENDBRANCH 32 33 BRANCH 32 41 ATOM 41 C LIG 1 -3.338 -0.954 1.931 0.00 0.00 +0.031 C BRANCH 41 42 ATOM 42 C LIG 1 -3.650 -2.462 2.069 0.00 0.00 -0.009 C ATOM 43 C LIG 1 -3.995 -2.776 3.537 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -4.336 -4.248 3.748 0.00 0.00 +0.000 C ATOM 45 C LIG 1 -5.466 -4.694 2.828 0.00 0.00 +0.000 C ATOM 46 C LIG 1 -5.132 -4.410 1.369 0.00 0.00 +0.000 C ATOM 47 C LIG 1 -4.777 -2.941 1.140 0.00 0.00 +0.003 C ENDBRANCH 41 42 ENDBRANCH 32 41 ENDBRANCH 5 32 TORSDOF 10