REMARK Name = BDB057150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.969 1.812 0.521 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 1.561 1.397 -0.472 0.00 0.00 +0.223 C ATOM 3 N LIG 1 2.867 0.964 -0.544 0.00 0.00 -0.264 N ATOM 4 H LIG 1 3.260 0.700 -1.435 0.00 0.00 +0.157 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 3.779 0.904 0.478 0.00 0.00 +0.165 A ATOM 6 S LIG 1 3.376 1.182 2.106 0.00 0.00 -0.060 S ATOM 7 C LIG 1 5.010 0.914 2.546 0.00 0.00 +0.077 A ATOM 8 C LIG 1 5.756 0.633 1.419 0.00 0.00 +0.082 A ATOM 9 N LIG 1 5.036 0.600 0.237 0.00 0.00 -0.225 NA BRANCH 8 10 ATOM 10 C LIG 1 7.206 0.400 1.387 0.00 0.00 +0.027 A ATOM 11 C LIG 1 8.006 0.227 0.213 0.00 0.00 +0.028 A ATOM 12 C LIG 1 9.327 0.091 0.646 0.00 0.00 +0.139 A ATOM 13 N LIG 1 10.434 -0.066 -0.105 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 10.167 -0.094 -1.430 0.00 0.00 +0.113 A ATOM 15 C LIG 1 8.906 0.020 -2.005 0.00 0.00 +0.020 A ATOM 16 N LIG 1 9.336 0.148 2.011 0.00 0.00 -0.345 N ATOM 17 H LIG 1 10.178 0.072 2.565 0.00 0.00 +0.167 HD ATOM 18 C LIG 1 7.794 0.184 -1.177 0.00 0.00 +0.014 A ATOM 19 C LIG 1 8.056 0.334 2.479 0.00 0.00 +0.095 A ENDBRANCH 8 10 ENDBRANCH 3 5 BRANCH 2 20 ATOM 20 C LIG 1 0.852 1.334 -1.818 0.00 0.00 +0.131 C BRANCH 20 21 ATOM 21 C LIG 1 0.157 0.014 -2.043 0.00 0.00 -0.035 A ATOM 22 C LIG 1 -0.974 -0.325 -1.276 0.00 0.00 +0.049 A ATOM 23 C LIG 1 -1.636 -1.539 -1.480 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -1.157 -2.422 -2.451 0.00 0.00 +0.045 A ATOM 25 C LIG 1 -0.034 -2.100 -3.213 0.00 0.00 +0.004 A ATOM 26 C LIG 1 0.621 -0.884 -3.012 0.00 0.00 +0.004 A BRANCH 23 27 ATOM 27 O LIG 1 -2.750 -1.973 -0.806 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 -3.294 -1.088 0.177 0.00 0.00 +0.229 C BRANCH 28 29 ATOM 29 C LIG 1 -4.558 -1.732 0.750 0.00 0.00 +0.041 C BRANCH 29 30 ATOM 30 C LIG 1 -5.224 -0.884 1.842 0.00 0.00 +0.007 C BRANCH 30 31 ATOM 31 C LIG 1 -6.359 0.054 1.388 0.00 0.00 -0.008 C ATOM 32 C LIG 1 -7.652 -0.713 1.037 0.00 0.00 +0.018 C ATOM 33 C LIG 1 -8.471 -0.029 -0.061 0.00 0.00 +0.081 C ATOM 34 N LIG 1 -8.470 1.426 0.093 0.00 0.00 -0.316 NA ATOM 35 H LIG 1 -8.831 1.654 1.022 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 -7.120 1.987 -0.045 0.00 0.00 +0.081 C ATOM 37 C LIG 1 -5.980 1.003 0.249 0.00 0.00 +0.018 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 9