REMARK Name = BDB061557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.201 0.906 1.239 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -0.021 2.217 1.649 0.00 0.00 +0.110 A ATOM 3 C LIG 1 1.251 2.531 2.098 0.00 0.00 +0.126 A ATOM 4 N LIG 1 2.245 1.618 2.189 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 1.972 0.373 1.788 0.00 0.00 +0.190 A ATOM 6 N LIG 1 0.783 -0.022 1.321 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -3.243 0.427 -0.966 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -3.841 -0.690 -0.372 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -3.276 -1.269 0.775 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -2.088 -0.734 1.288 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -1.460 0.375 0.685 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -2.045 0.933 -0.461 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -4.972 1.700 -1.816 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -3.739 1.032 -2.092 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -5.008 -1.198 -0.889 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -4.709 -2.200 -1.860 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -3.943 -2.345 1.300 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.434 -2.915 2.498 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -1.086 3.167 1.639 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -1.965 3.926 1.645 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 1.722 4.169 2.638 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 1.902 4.912 1.058 0.00 0.00 +0.141 A ATOM 23 S LIG 1 2.732 6.397 0.844 0.00 0.00 -0.069 S ATOM 24 C LIG 1 2.381 6.336 -0.832 0.00 0.00 +0.070 A ATOM 25 C LIG 1 1.651 5.198 -1.123 0.00 0.00 +0.047 A ATOM 26 C LIG 1 1.148 4.793 -2.461 0.00 0.00 +0.066 C ATOM 27 N LIG 1 1.385 4.386 -0.032 0.00 0.00 -0.238 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 28 ATOM 28 S LIG 1 3.278 -0.813 1.929 0.00 0.00 -0.081 S BRANCH 28 29 ATOM 29 C LIG 1 2.695 -2.051 0.732 0.00 0.00 +0.112 C BRANCH 29 30 ATOM 30 C LIG 1 3.703 -3.160 0.551 0.00 0.00 -0.037 A ATOM 31 C LIG 1 4.740 -3.034 -0.385 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.677 -4.056 -0.546 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.590 -5.211 0.228 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.569 -5.344 1.169 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.632 -4.323 1.333 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 10