REMARK Name = BDB061574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.694 0.668 0.602 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -1.530 1.980 1.014 0.00 0.00 +0.110 A ATOM 3 C LIG 1 -0.218 2.410 1.129 0.00 0.00 +0.126 A ATOM 4 N LIG 1 0.847 1.607 0.899 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 0.592 0.353 0.519 0.00 0.00 +0.190 A ATOM 6 N LIG 1 -0.639 -0.150 0.370 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.221 -0.074 -0.590 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -5.467 -1.302 0.035 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -4.499 -1.877 0.872 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -3.276 -1.218 1.045 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -3.000 0.008 0.403 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -3.984 0.555 -0.435 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -7.326 0.887 -0.751 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -6.113 0.550 -1.425 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -6.674 -1.935 -0.142 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -6.593 -2.826 -1.254 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -4.837 -3.070 1.458 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.874 -3.682 2.305 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -2.636 2.823 1.341 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -3.532 3.505 1.619 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 0.225 4.066 1.636 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 0.010 4.868 0.090 0.00 0.00 +0.141 A ATOM 23 S LIG 1 0.615 6.449 -0.200 0.00 0.00 -0.069 S ATOM 24 C LIG 1 -0.020 6.385 -1.791 0.00 0.00 +0.067 A ATOM 25 C LIG 1 -0.656 5.177 -1.988 0.00 0.00 +0.120 A ATOM 26 N LIG 1 -0.636 4.310 -0.912 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 1.940 -0.755 0.223 0.00 0.00 -0.081 S BRANCH 27 28 ATOM 28 C LIG 1 3.298 0.443 0.067 0.00 0.00 +0.112 C BRANCH 28 29 ATOM 29 C LIG 1 4.599 -0.244 -0.269 0.00 0.00 -0.037 A ATOM 30 C LIG 1 5.449 -0.699 0.752 0.00 0.00 +0.013 A ATOM 31 C LIG 1 6.659 -1.349 0.458 0.00 0.00 -0.018 A ATOM 32 C LIG 1 7.026 -1.551 -0.892 0.00 0.00 -0.018 A ATOM 33 C LIG 1 8.237 -2.199 -1.186 0.00 0.00 +0.008 A ATOM 34 C LIG 1 9.074 -2.645 -0.162 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.711 -2.450 1.167 0.00 0.00 +0.001 A ATOM 36 C LIG 1 6.169 -1.104 -1.909 0.00 0.00 +0.009 A ATOM 37 C LIG 1 7.511 -1.807 1.476 0.00 0.00 +0.008 A ATOM 38 C LIG 1 4.968 -0.461 -1.602 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10