REMARK Name = BDB015827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.395 0.199 -0.593 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.081 -0.969 -0.353 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.750 -1.571 0.391 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.644 0.924 -1.554 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.076 -1.543 -1.288 0.00 0.00 +0.106 C BRANCH 5 6 ATOM 6 C LIG 1 -3.370 -0.664 -1.312 0.00 0.00 +0.135 C BRANCH 6 7 ATOM 7 O LIG 1 -3.185 0.469 -2.174 0.00 0.00 -0.390 OA ATOM 8 H LIG 1 -2.277 0.815 -2.023 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -4.635 -1.383 -1.810 0.00 0.00 +0.042 C BRANCH 9 10 ATOM 10 C LIG 1 -5.867 -0.473 -1.841 0.00 0.00 +0.098 C BRANCH 10 11 ATOM 11 C LIG 1 -6.317 -0.057 -0.454 0.00 0.00 +0.213 C ATOM 12 N LIG 1 -7.233 0.969 -0.466 0.00 0.00 -0.311 N ATOM 13 H LIG 1 -7.347 1.505 -1.317 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 -5.933 -0.606 0.575 0.00 0.00 -0.276 OA BRANCH 12 15 ATOM 15 C LIG 1 -7.685 1.566 0.767 0.00 0.00 +0.139 C BRANCH 15 16 ATOM 16 C LIG 1 -8.799 2.543 0.509 0.00 0.00 -0.030 A ATOM 17 C LIG 1 -8.527 3.907 0.331 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -9.561 4.806 0.065 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -10.875 4.350 -0.033 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -11.155 2.995 0.133 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -10.123 2.095 0.398 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 5 6 BRANCH 5 22 ATOM 22 C LIG 1 -2.351 -3.017 -0.905 0.00 0.00 +0.060 C BRANCH 22 23 ATOM 23 C LIG 1 -1.107 -3.870 -0.763 0.00 0.00 -0.046 A ATOM 24 C LIG 1 -0.844 -4.540 0.441 0.00 0.00 +0.004 A ATOM 25 C LIG 1 0.304 -5.322 0.582 0.00 0.00 +0.000 A ATOM 26 C LIG 1 1.198 -5.447 -0.479 0.00 0.00 +0.000 A ATOM 27 C LIG 1 0.942 -4.796 -1.684 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -0.207 -4.016 -1.828 0.00 0.00 +0.004 A ENDBRANCH 22 23 ENDBRANCH 5 22 ENDBRANCH 2 5 BRANCH 1 29 ATOM 29 C LIG 1 0.665 0.556 0.476 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 N LIG 1 1.523 1.615 -0.057 0.00 0.00 -0.303 N ATOM 31 H LIG 1 1.051 2.330 -0.605 0.00 0.00 +0.149 HD ATOM 32 C LIG 1 2.861 1.566 -0.335 0.00 0.00 +0.218 C ATOM 33 O LIG 1 3.334 2.430 -1.071 0.00 0.00 -0.275 OA BRANCH 32 34 ATOM 34 C LIG 1 3.687 0.448 0.283 0.00 0.00 +0.131 C BRANCH 34 35 ATOM 35 C LIG 1 5.149 0.783 0.451 0.00 0.00 -0.035 A ATOM 36 C LIG 1 6.094 0.359 -0.495 0.00 0.00 +0.050 A ATOM 37 C LIG 1 7.446 0.664 -0.326 0.00 0.00 +0.129 A ATOM 38 C LIG 1 7.863 1.429 0.766 0.00 0.00 +0.046 A ATOM 39 C LIG 1 6.928 1.864 1.705 0.00 0.00 +0.004 A ATOM 40 C LIG 1 5.579 1.542 1.550 0.00 0.00 +0.004 A BRANCH 37 41 ATOM 41 O LIG 1 8.305 0.237 -1.315 0.00 0.00 -0.456 OA BRANCH 41 42 ATOM 42 C LIG 1 9.519 -0.272 -0.914 0.00 0.00 +0.128 A ATOM 43 C LIG 1 9.616 -1.331 -0.009 0.00 0.00 +0.046 A ATOM 44 C LIG 1 10.871 -1.833 0.336 0.00 0.00 +0.004 A ATOM 45 C LIG 1 12.023 -1.285 -0.234 0.00 0.00 +0.000 A ATOM 46 C LIG 1 11.920 -0.242 -1.156 0.00 0.00 +0.004 A ATOM 47 C LIG 1 10.666 0.260 -1.503 0.00 0.00 +0.046 A ENDBRANCH 41 42 ENDBRANCH 37 41 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 29 30 BRANCH 29 49 ATOM 48 C LIG 1 -0.836 2.245 1.698 0.00 0.00 +0.009 C ATOM 49 C LIG 1 -0.008 0.960 1.809 0.00 0.00 +0.012 C ATOM 50 C LIG 1 1.021 1.100 2.934 0.00 0.00 +0.009 C ENDBRANCH 29 49 ENDBRANCH 1 29 TORSDOF 17