REMARK Name = BDB019480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.379 3.759 -2.133 0.00 0.00 -0.222 N ATOM 2 C LIG 1 -0.240 2.497 -1.591 0.00 0.00 +0.073 A ATOM 3 C LIG 1 1.102 2.125 -1.800 0.00 0.00 +0.017 A ATOM 4 C LIG 1 1.511 0.854 -1.329 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.604 0.003 -0.672 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -0.726 0.377 -0.469 0.00 0.00 -0.014 A ATOM 7 C LIG 1 1.747 3.207 -2.501 0.00 0.00 -0.023 A ATOM 8 C LIG 1 3.159 3.282 -2.967 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -1.149 1.633 -0.942 0.00 0.00 +0.036 A ATOM 10 C LIG 1 0.804 4.200 -2.664 0.00 0.00 +0.116 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.661 -0.515 0.237 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -2.932 -0.800 -0.251 0.00 0.00 +0.121 A ATOM 13 N LIG 1 -3.838 -1.610 0.356 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -3.500 -2.204 1.519 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -2.253 -1.958 2.091 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -1.335 -1.121 1.451 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 N LIG 1 -4.430 -3.018 2.157 0.00 0.00 -0.311 N ATOM 18 C LIG 1 -5.766 -3.068 1.537 0.00 0.00 +0.134 C ATOM 19 C LIG 1 -6.678 -3.980 2.373 0.00 0.00 +0.178 C ATOM 20 O LIG 1 -6.210 -5.336 2.481 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -4.806 -5.471 2.226 0.00 0.00 +0.178 C ATOM 22 C LIG 1 -3.969 -4.288 2.745 0.00 0.00 +0.134 C ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 4 23 ATOM 23 C LIG 1 2.907 0.396 -1.476 0.00 0.00 +0.245 C ATOM 24 N LIG 1 3.052 -0.801 -2.135 0.00 0.00 -0.307 N ATOM 25 H LIG 1 2.237 -1.309 -2.460 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 3.829 1.050 -1.009 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 4.325 -1.478 -2.246 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 C LIG 1 4.431 -2.502 -1.155 0.00 0.00 +0.037 A ATOM 29 C LIG 1 3.594 -3.729 -1.370 0.00 0.00 +0.254 A ATOM 30 O LIG 1 2.841 -3.842 -2.335 0.00 0.00 -0.268 OA ATOM 31 N LIG 1 3.693 -4.718 -0.426 0.00 0.00 -0.326 N ATOM 32 H LIG 1 3.123 -5.537 -0.594 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 4.481 -4.644 0.696 0.00 0.00 +0.016 A ATOM 34 C LIG 1 4.456 -5.816 1.627 0.00 0.00 +0.063 C ATOM 35 C LIG 1 5.218 -3.543 0.901 0.00 0.00 +0.024 A ATOM 36 C LIG 1 5.204 -2.437 -0.048 0.00 0.00 -0.039 A ATOM 37 C LIG 1 6.090 -1.282 0.333 0.00 0.00 +0.044 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 4 23 BRANCH 1 38 ATOM 38 S LIG 1 -1.719 4.808 -1.988 0.00 0.00 +0.061 S ATOM 39 O LIG 1 -1.735 5.537 -3.245 0.00 0.00 -0.152 OA ATOM 40 O LIG 1 -2.858 4.005 -1.592 0.00 0.00 -0.152 OA BRANCH 38 41 ATOM 41 C LIG 1 -1.397 6.004 -0.656 0.00 0.00 +0.112 C ATOM 42 C LIG 1 -2.377 7.156 -0.631 0.00 0.00 +0.034 C ATOM 43 C LIG 1 -0.968 7.380 -1.114 0.00 0.00 +0.034 C BRANCH 41 44 ATOM 44 C LIG 1 -0.850 5.412 0.604 0.00 0.00 +0.058 C BRANCH 44 46 ATOM 45 C LIG 1 -1.522 3.424 1.984 0.00 0.00 +0.004 C ATOM 46 C LIG 1 -1.817 4.602 1.419 0.00 0.00 -0.032 C ENDBRANCH 44 46 ENDBRANCH 41 44 ENDBRANCH 38 41 ENDBRANCH 1 38 TORSDOF 9