REMARK Name = BDB061561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.720 -1.046 0.095 0.00 0.00 +0.145 A ATOM 2 C LIG 1 0.485 -1.681 -0.002 0.00 0.00 +0.118 A ATOM 3 C LIG 1 -0.640 -0.869 0.033 0.00 0.00 +0.095 A ATOM 4 N LIG 1 -0.553 0.473 0.173 0.00 0.00 -0.220 NA ATOM 5 C LIG 1 0.670 1.005 0.248 0.00 0.00 +0.191 A ATOM 6 N LIG 1 1.801 0.292 0.211 0.00 0.00 -0.205 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.031 -1.358 -0.058 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -2.962 -1.009 0.941 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -4.289 -1.443 0.879 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -4.684 -2.261 -0.190 0.00 0.00 +0.204 A ATOM 11 C LIG 1 -3.787 -2.604 -1.214 0.00 0.00 +0.166 A ATOM 12 C LIG 1 -2.469 -2.143 -1.142 0.00 0.00 +0.059 A BRANCH 9 13 ATOM 13 O LIG 1 -5.249 -1.149 1.812 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -4.964 -0.105 2.733 0.00 0.00 +0.277 C ENDBRANCH 9 13 BRANCH 10 15 ATOM 15 O LIG 1 -5.998 -2.666 -0.278 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -6.159 -3.927 0.370 0.00 0.00 +0.277 C ENDBRANCH 10 15 BRANCH 11 17 ATOM 17 O LIG 1 -4.292 -3.377 -2.228 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.390 -3.827 -3.229 0.00 0.00 +0.277 C ENDBRANCH 11 17 ENDBRANCH 3 7 BRANCH 1 19 ATOM 19 N LIG 1 2.910 -1.816 0.036 0.00 0.00 -0.298 N ATOM 20 H LIG 1 2.863 -2.622 0.653 0.00 0.00 +0.154 HD BRANCH 19 24 ATOM 21 C LIG 1 6.967 -0.722 -0.577 0.00 0.00 +0.120 A ATOM 22 C LIG 1 5.946 0.147 -0.957 0.00 0.00 +0.047 A ATOM 23 C LIG 1 4.602 -0.189 -0.753 0.00 0.00 +0.027 A ATOM 24 C LIG 1 4.248 -1.394 -0.140 0.00 0.00 +0.033 A ATOM 25 C LIG 1 5.284 -2.276 0.206 0.00 0.00 +0.027 A ATOM 26 C LIG 1 6.630 -1.942 0.002 0.00 0.00 +0.047 A BRANCH 21 28 ATOM 27 C LIG 1 9.307 -1.115 -0.441 0.00 0.00 +0.277 C ATOM 28 O LIG 1 8.232 -0.272 -0.834 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 19 24 ENDBRANCH 1 19 BRANCH 2 29 ATOM 29 C LIG 1 0.391 -3.101 -0.104 0.00 0.00 +0.105 C ATOM 30 N LIG 1 0.334 -4.258 -0.173 0.00 0.00 -0.191 NA ENDBRANCH 2 29 BRANCH 5 31 ATOM 31 S LIG 1 0.844 2.758 0.425 0.00 0.00 -0.081 S BRANCH 31 32 ATOM 32 C LIG 1 -0.860 3.283 0.068 0.00 0.00 +0.112 C BRANCH 32 33 ATOM 33 C LIG 1 -0.987 4.787 0.089 0.00 0.00 -0.037 A ATOM 34 C LIG 1 -0.795 5.535 -1.082 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -0.904 6.926 -1.060 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.200 7.585 0.132 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.384 6.853 1.304 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -1.276 5.462 1.284 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 11