REMARK Name = BDB038866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.630 -1.030 -0.419 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -1.515 -0.110 0.156 0.00 0.00 +0.074 A ATOM 3 N LIG 1 -1.333 1.202 0.539 0.00 0.00 -0.352 N ATOM 4 H LIG 1 -0.463 1.707 0.460 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 -2.490 1.734 1.056 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.450 0.726 1.031 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -4.741 1.013 1.521 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -5.021 2.293 2.011 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -4.039 3.280 2.021 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.751 3.020 1.544 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -2.831 -0.440 0.477 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -3.278 -1.746 0.225 0.00 0.00 +0.045 A ATOM 13 CA LIG 1 -2.353 -2.631 -0.316 0.00 0.00 +0.149 A ATOM 14 N LIG 1 -1.074 -2.298 -0.622 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 3.443 -0.206 -1.486 0.00 0.00 +0.048 A ATOM 16 C LIG 1 3.114 -1.388 -0.827 0.00 0.00 +0.025 A ATOM 17 C LIG 1 1.782 -1.647 -0.486 0.00 0.00 +0.012 A ATOM 18 C LIG 1 0.756 -0.735 -0.791 0.00 0.00 +0.003 A ATOM 19 C LIG 1 1.111 0.435 -1.483 0.00 0.00 +0.012 A ATOM 20 C LIG 1 2.442 0.702 -1.820 0.00 0.00 +0.025 A BRANCH 15 21 ATOM 21 N LIG 1 4.805 0.056 -1.800 0.00 0.00 -0.221 N ATOM 22 H LIG 1 5.419 -0.747 -1.934 0.00 0.00 +0.173 HD BRANCH 21 24 ATOM 23 C LIG 1 5.553 0.900 0.653 0.00 0.00 +0.218 C ATOM 24 S LIG 1 5.587 1.356 -1.069 0.00 0.00 +0.040 S ATOM 25 O LIG 1 6.965 1.284 -1.506 0.00 0.00 -0.155 OA ATOM 26 O LIG 1 4.807 2.562 -1.240 0.00 0.00 -0.155 OA ENDBRANCH 21 24 ENDBRANCH 15 21 ENDBRANCH 1 18 BRANCH 13 27 ATOM 27 C LIG 1 -2.723 -4.056 -0.594 0.00 0.00 +0.355 C ATOM 28 O LIG 1 -1.994 -4.935 -1.018 0.00 0.00 -0.243 OA BRANCH 27 29 ATOM 29 OXT LIG 1 -4.018 -4.327 -0.321 0.00 0.00 -0.476 OA ATOM 30 HXT LIG 1 -4.098 -5.276 -0.557 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 13 27 TORSDOF 5