REMARK Name = BDB000329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.404 -1.500 -0.068 0.00 0.00 +0.133 C ATOM 2 N LIG 1 -0.680 -1.907 -1.296 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -1.409 -2.518 -2.335 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -1.097 -2.480 -3.526 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -2.618 -3.372 -1.915 0.00 0.00 +0.178 C ATOM 6 N LIG 1 -3.392 -2.829 -0.786 0.00 0.00 -0.306 NA ATOM 7 H LIG 1 -3.856 -1.980 -1.105 0.00 0.00 +0.122 HD ATOM 8 C LIG 1 -2.471 -2.545 0.317 0.00 0.00 +0.107 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 0.696 -1.499 -1.470 0.00 0.00 +0.037 A ATOM 10 C LIG 1 1.505 -2.071 -2.461 0.00 0.00 +0.027 A ATOM 11 C LIG 1 2.852 -1.709 -2.608 0.00 0.00 +0.047 A ATOM 12 C LIG 1 3.437 -0.767 -1.769 0.00 0.00 +0.121 A ATOM 13 C LIG 1 2.657 -0.195 -0.772 0.00 0.00 +0.047 A ATOM 14 C LIG 1 1.309 -0.562 -0.622 0.00 0.00 +0.027 A BRANCH 12 15 ATOM 15 O LIG 1 4.756 -0.521 -2.015 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 5.407 0.536 -1.306 0.00 0.00 +0.231 C BRANCH 16 17 ATOM 17 C LIG 1 5.987 0.046 0.021 0.00 0.00 +0.069 C BRANCH 17 18 ATOM 18 C LIG 1 7.109 -0.975 -0.176 0.00 0.00 +0.163 C BRANCH 18 19 ATOM 19 O LIG 1 8.225 -0.415 -0.868 0.00 0.00 -0.375 OA BRANCH 19 20 ATOM 20 C LIG 1 9.114 0.310 -0.013 0.00 0.00 +0.198 C BRANCH 20 21 ATOM 21 C LIG 1 10.300 0.869 -0.771 0.00 0.00 +0.020 A ATOM 22 C LIG 1 11.266 1.630 -0.082 0.00 0.00 +0.125 A ATOM 23 C LIG 1 12.367 2.147 -0.776 0.00 0.00 +0.046 A ATOM 24 C LIG 1 12.513 1.913 -2.146 0.00 0.00 +0.004 A ATOM 25 C LIG 1 11.563 1.163 -2.831 0.00 0.00 +0.001 A ATOM 26 C LIG 1 10.464 0.645 -2.148 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 O LIG 1 11.034 1.810 1.258 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 11.997 2.554 1.994 0.00 0.00 +0.277 C ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 2 9 BRANCH 1 29 ATOM 29 C LIG 1 -2.015 -0.082 -0.210 0.00 0.00 +0.253 C BRANCH 29 30 ATOM 30 O LIG 1 -2.019 0.577 1.060 0.00 0.00 -0.490 OA BRANCH 30 36 ATOM 31 N LIG 1 -6.819 -0.086 1.944 0.00 0.00 -0.326 N ATOM 32 C LIG 1 -5.586 0.519 2.202 0.00 0.00 +0.036 A ATOM 33 C LIG 1 -5.450 1.473 3.236 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -4.203 2.049 3.524 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -3.084 1.715 2.770 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -3.195 0.822 1.708 0.00 0.00 +0.122 A ATOM 37 C LIG 1 -6.628 1.868 4.087 0.00 0.00 +0.038 C ATOM 38 C LIG 1 -7.938 1.572 3.376 0.00 0.00 +0.024 C ATOM 39 C LIG 1 -4.438 0.245 1.432 0.00 0.00 +0.069 A ATOM 40 C LIG 1 -7.918 0.136 2.887 0.00 0.00 +0.105 C BRANCH 31 41 ATOM 41 C LIG 1 -6.926 -1.311 1.125 0.00 0.00 +0.146 C BRANCH 41 42 ATOM 42 C LIG 1 -7.242 -0.975 -0.336 0.00 0.00 +0.251 C BRANCH 42 43 ATOM 43 O LIG 1 -8.601 -0.519 -0.440 0.00 0.00 -0.463 OA BRANCH 43 44 ATOM 44 C LIG 1 -8.952 -0.100 -1.688 0.00 0.00 +0.307 C ATOM 45 O LIG 1 -8.220 -0.123 -2.666 0.00 0.00 -0.251 OA BRANCH 44 47 ATOM 46 C LIG 1 -10.857 0.807 -3.049 0.00 0.00 +0.015 C ATOM 47 C LIG 1 -10.383 0.383 -1.670 0.00 0.00 +0.117 C ENDBRANCH 44 47 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 31 41 ENDBRANCH 30 36 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 17