REMARK Name = BDB027043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.388 -0.763 -0.402 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.072 -2.178 0.070 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.572 -3.111 -0.856 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.279 -4.420 -0.469 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.495 -4.822 0.846 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.016 -3.919 1.770 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.311 -2.609 1.385 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 1.320 0.287 0.736 0.00 0.00 +0.186 C ATOM 9 O LIG 1 2.349 0.597 1.349 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -4.173 0.756 0.330 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -3.517 1.688 1.149 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -2.121 1.627 1.314 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -1.316 0.676 0.684 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.044 0.933 1.082 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -0.009 2.010 1.955 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -1.974 -0.261 -0.136 0.00 0.00 +0.012 A ATOM 17 N LIG 1 -1.304 2.417 2.083 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -1.623 3.182 2.662 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -3.371 -0.205 -0.298 0.00 0.00 +0.024 A BRANCH 10 24 ATOM 20 C LIG 1 -9.426 0.528 -1.167 0.00 0.00 +0.105 C ATOM 21 N LIG 1 -8.542 0.792 -0.036 0.00 0.00 -0.302 NA ATOM 22 C LIG 1 -7.680 1.962 -0.313 0.00 0.00 +0.103 C ATOM 23 C LIG 1 -6.352 1.971 0.480 0.00 0.00 +0.120 C ATOM 24 N LIG 1 -5.546 0.786 0.144 0.00 0.00 -0.327 N ATOM 25 C LIG 1 -6.294 -0.427 -0.232 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -7.738 -0.395 0.324 0.00 0.00 +0.103 C ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 2.739 -0.772 -1.030 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 3.416 -0.804 -0.259 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 2.994 0.434 -1.825 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 4.396 0.407 -2.456 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 5.520 0.491 -1.446 0.00 0.00 -0.046 A ATOM 32 C LIG 1 6.216 -0.666 -1.066 0.00 0.00 +0.005 A ATOM 33 C LIG 1 7.238 -0.598 -0.119 0.00 0.00 +0.029 A ATOM 34 C LIG 1 7.569 0.636 0.447 0.00 0.00 +0.105 A ATOM 35 C LIG 1 6.876 1.794 0.092 0.00 0.00 +0.029 A ATOM 36 C LIG 1 5.854 1.719 -0.856 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 S LIG 1 8.872 0.717 1.645 0.00 0.00 +0.056 S ATOM 38 O LIG 1 8.806 1.993 2.319 0.00 0.00 -0.153 OA ATOM 39 O LIG 1 8.926 -0.538 2.356 0.00 0.00 -0.153 OA BRANCH 37 40 ATOM 40 N LIG 1 10.231 0.807 0.651 0.00 0.00 -0.204 NA ATOM 41 H LIG 1 10.017 0.640 -0.332 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 10.680 1.713 0.795 0.00 0.00 +0.144 HD ENDBRANCH 37 40 ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10