REMARK Name = BDB060392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.455 -0.789 -0.315 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -2.832 -0.748 -0.646 0.00 0.00 +0.002 A ATOM 3 C LIG 1 -3.518 0.454 -0.355 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -2.891 1.591 0.187 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.516 1.520 0.421 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.771 0.353 0.170 0.00 0.00 +0.026 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 0.692 0.397 0.376 0.00 0.00 -0.014 A ATOM 8 C LIG 1 1.579 0.101 -0.674 0.00 0.00 +0.017 A ATOM 9 C LIG 1 2.973 0.143 -0.496 0.00 0.00 -0.017 A ATOM 10 C LIG 1 3.500 0.497 0.765 0.00 0.00 -0.016 A ATOM 11 C LIG 1 4.892 0.539 0.945 0.00 0.00 +0.033 A ATOM 12 C LIG 1 5.755 0.226 -0.105 0.00 0.00 +0.048 A ATOM 13 C LIG 1 5.236 -0.111 -1.354 0.00 0.00 +0.025 A ATOM 14 C LIG 1 2.619 0.802 1.812 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.853 -0.155 -1.548 0.00 0.00 +0.010 A ATOM 16 C LIG 1 1.236 0.754 1.619 0.00 0.00 +0.009 A BRANCH 12 17 ATOM 17 N LIG 1 7.169 0.248 0.060 0.00 0.00 -0.221 N ATOM 18 H LIG 1 7.740 0.347 -0.779 0.00 0.00 +0.173 HD BRANCH 17 19 ATOM 19 S LIG 1 7.900 -0.735 1.215 0.00 0.00 +0.040 S ATOM 20 O LIG 1 9.323 -0.630 0.969 0.00 0.00 -0.155 OA ATOM 21 O LIG 1 7.344 -0.462 2.521 0.00 0.00 -0.155 OA ATOM 22 C LIG 1 7.392 -2.368 0.709 0.00 0.00 +0.218 C ENDBRANCH 17 19 ENDBRANCH 12 17 ENDBRANCH 6 7 BRANCH 4 23 ATOM 23 N LIG 1 -3.640 2.801 0.454 0.00 0.00 -0.269 N ATOM 24 C LIG 1 -3.245 3.647 1.515 0.00 0.00 +0.334 A ATOM 25 O LIG 1 -2.345 3.433 2.326 0.00 0.00 -0.246 OA ATOM 26 N LIG 1 -3.983 4.799 1.668 0.00 0.00 -0.275 N ATOM 27 H LIG 1 -3.731 5.378 2.453 0.00 0.00 +0.173 HD ATOM 28 C LIG 1 -5.134 5.117 1.016 0.00 0.00 +0.254 A ATOM 29 O LIG 1 -5.831 6.080 1.308 0.00 0.00 -0.268 OA ATOM 30 C LIG 1 -5.501 4.219 -0.082 0.00 0.00 +0.088 A ATOM 31 C LIG 1 -4.757 3.135 -0.307 0.00 0.00 +0.101 A ENDBRANCH 4 23 BRANCH 2 32 ATOM 32 C LIG 1 -3.581 -1.944 -1.289 0.00 0.00 -0.009 C ATOM 33 C LIG 1 -5.033 -1.606 -1.726 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -3.694 -3.111 -0.289 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -2.866 -2.421 -2.575 0.00 0.00 +0.015 C ENDBRANCH 2 32 BRANCH 1 37 ATOM 36 C LIG 1 -0.341 -2.562 0.706 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -0.770 -1.964 -0.522 0.00 0.00 -0.494 OA ENDBRANCH 1 37 TORSDOF 6