REMARK Name = BDB064486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.372 -0.178 -2.571 0.00 0.00 +0.028 C ATOM 2 C LIG 1 1.529 -0.206 -1.897 0.00 0.00 +0.079 C ATOM 3 C LIG 1 2.800 -0.689 -2.510 0.00 0.00 +0.276 C ATOM 4 O LIG 1 2.877 -1.102 -3.657 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 3.853 -0.609 -1.628 0.00 0.00 -0.154 NA ATOM 6 C LIG 1 3.526 -0.137 -0.474 0.00 0.00 +0.156 C ATOM 7 S LIG 1 1.830 0.286 -0.281 0.00 0.00 -0.051 S ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -2.613 2.018 -1.894 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -3.354 1.213 -1.003 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -2.865 -0.048 -0.648 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -1.648 -0.505 -1.160 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -0.907 0.293 -2.034 0.00 0.00 -0.020 A ATOM 13 C LIG 1 -1.394 1.552 -2.402 0.00 0.00 +0.057 A BRANCH 8 15 ATOM 14 C LIG 1 -2.468 4.067 -3.120 0.00 0.00 +0.277 C ATOM 15 O LIG 1 -3.163 3.239 -2.199 0.00 0.00 -0.491 OA ENDBRANCH 8 15 BRANCH 9 16 ATOM 16 O LIG 1 -4.536 1.747 -0.558 0.00 0.00 -0.488 OA BRANCH 16 17 ATOM 17 C LIG 1 -5.293 1.056 0.435 0.00 0.00 +0.234 C BRANCH 17 18 ATOM 18 C LIG 1 -6.276 0.083 -0.217 0.00 0.00 +0.076 C BRANCH 18 19 ATOM 19 C LIG 1 -7.088 -0.668 0.806 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -8.254 -0.105 1.340 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -8.994 -0.792 2.304 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -8.573 -2.045 2.744 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -7.413 -2.612 2.222 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.671 -1.927 1.259 0.00 0.00 +0.004 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 N LIG 1 4.285 0.083 0.638 0.00 0.00 -0.296 N ATOM 26 H LIG 1 3.784 0.468 1.429 0.00 0.00 +0.154 HD BRANCH 25 27 ATOM 27 C LIG 1 5.669 -0.066 0.821 0.00 0.00 +0.033 A ATOM 28 C LIG 1 6.196 0.127 2.111 0.00 0.00 +0.025 A ATOM 29 C LIG 1 7.561 -0.028 2.374 0.00 0.00 +0.030 A ATOM 30 C LIG 1 8.419 -0.390 1.338 0.00 0.00 +0.105 A ATOM 31 C LIG 1 7.926 -0.582 0.048 0.00 0.00 +0.030 A ATOM 32 C LIG 1 6.557 -0.429 -0.200 0.00 0.00 +0.025 A BRANCH 30 33 ATOM 33 S LIG 1 10.154 -0.586 1.642 0.00 0.00 +0.056 S ATOM 34 O LIG 1 10.439 -0.130 2.983 0.00 0.00 -0.153 OA ATOM 35 O LIG 1 10.874 -0.109 0.487 0.00 0.00 -0.153 OA BRANCH 33 36 ATOM 36 N LIG 1 10.302 -2.263 1.698 0.00 0.00 -0.204 NA ATOM 37 H LIG 1 10.593 -2.538 2.638 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 9.462 -2.755 1.397 0.00 0.00 +0.144 HD ENDBRANCH 33 36 ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 10