REMARK Name = BDB033641 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.519 0.836 1.493 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.001 0.347 2.707 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.792 0.405 3.985 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.284 -0.214 2.719 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.035 -0.324 1.546 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.526 0.131 0.323 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.259 0.734 0.324 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.921 1.412 1.383 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.965 -1.561 -0.123 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -5.268 -1.032 -0.435 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -5.327 0.260 -0.857 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -5.077 1.339 -0.011 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -5.220 2.654 -0.462 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -5.627 2.883 -1.776 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -5.896 1.806 -2.623 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -4.559 1.002 1.640 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -5.412 -0.030 2.186 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -4.425 2.267 2.336 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.993 0.367 1.372 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -5.757 0.495 -2.161 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.820 -0.579 0.208 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -5.125 -3.721 0.583 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.090 -2.663 0.945 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.267 -0.040 -1.002 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 3.730 0.402 -0.920 0.00 0.00 -0.001 A ATOM 26 S LIG 1 4.142 2.004 -1.361 0.00 0.00 -0.089 S ATOM 27 C LIG 1 5.809 1.777 -1.018 0.00 0.00 +0.057 A ATOM 28 C LIG 1 6.069 0.477 -0.600 0.00 0.00 -0.033 A ATOM 29 C LIG 1 7.403 -0.107 -0.261 0.00 0.00 +0.045 C ATOM 30 C LIG 1 4.858 -0.299 -0.544 0.00 0.00 +0.016 A BRANCH 27 31 ATOM 31 C LIG 1 6.687 2.932 -1.207 0.00 0.00 +0.167 C ATOM 32 O LIG 1 6.448 3.847 -1.999 0.00 0.00 -0.292 OA ATOM 33 C LIG 1 7.952 2.999 -0.388 0.00 0.00 +0.092 C ENDBRANCH 27 31 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 2.111 -1.438 -1.675 0.00 0.00 +0.107 C ATOM 35 C LIG 1 2.136 -2.651 -0.745 0.00 0.00 +0.020 C BRANCH 34 36 ATOM 36 C LIG 1 0.822 -1.505 -2.482 0.00 0.00 +0.308 C ATOM 37 O LIG 1 -0.234 -0.971 -2.182 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 0.930 -2.271 -3.594 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 1.808 -2.672 -3.737 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 6 24 TORSDOF 9