REMARK Name = BDB059182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.602 2.398 0.285 0.00 0.00 +0.191 A ATOM 2 N LIG 1 -1.770 1.758 0.159 0.00 0.00 -0.220 NA ATOM 3 C LIG 1 -1.788 0.415 0.341 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -0.638 -0.299 0.632 0.00 0.00 +0.110 A ATOM 5 C LIG 1 0.521 0.453 0.736 0.00 0.00 +0.127 A ATOM 6 N LIG 1 0.552 1.796 0.585 0.00 0.00 -0.214 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.130 -0.182 0.177 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -3.875 0.084 -0.989 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -5.151 -0.454 -1.176 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -5.681 -1.295 -0.186 0.00 0.00 +0.204 A ATOM 11 C LIG 1 -4.976 -1.560 0.999 0.00 0.00 +0.166 A ATOM 12 C LIG 1 -3.709 -0.992 1.173 0.00 0.00 +0.059 A BRANCH 9 13 ATOM 13 O LIG 1 -5.933 -0.242 -2.281 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -5.552 0.814 -3.153 0.00 0.00 +0.277 C ENDBRANCH 9 13 BRANCH 10 15 ATOM 15 O LIG 1 -6.950 -1.808 -0.343 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -6.882 -3.070 -1.006 0.00 0.00 +0.277 C ENDBRANCH 10 15 BRANCH 11 17 ATOM 17 O LIG 1 -5.605 -2.366 1.911 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -4.870 -2.761 3.061 0.00 0.00 +0.277 C ENDBRANCH 11 17 ENDBRANCH 3 7 BRANCH 4 19 ATOM 19 C LIG 1 -0.636 -1.716 0.799 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -0.629 -2.862 0.978 0.00 0.00 -0.191 NA ENDBRANCH 4 19 BRANCH 1 21 ATOM 21 S LIG 1 -0.632 4.152 0.063 0.00 0.00 -0.073 S BRANCH 21 22 ATOM 22 C LIG 1 1.120 4.439 -0.321 0.00 0.00 +0.165 C BRANCH 22 24 ATOM 23 C LIG 1 1.564 6.995 -0.955 0.00 0.00 +0.004 C ATOM 24 C LIG 1 1.362 5.846 -0.670 0.00 0.00 -0.094 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 5 25 ATOM 25 S LIG 1 2.119 -0.268 1.098 0.00 0.00 -0.027 S BRANCH 25 26 ATOM 26 C LIG 1 2.593 -0.623 -0.525 0.00 0.00 +0.215 A ATOM 27 N LIG 1 3.866 -0.938 -0.900 0.00 0.00 -0.219 N ATOM 28 N LIG 1 3.898 -1.149 -2.229 0.00 0.00 -0.043 NA ATOM 29 N LIG 1 2.650 -0.970 -2.641 0.00 0.00 -0.022 NA ATOM 30 N LIG 1 1.826 -0.644 -1.592 0.00 0.00 -0.101 NA BRANCH 27 31 ATOM 31 C LIG 1 5.076 -1.060 -0.117 0.00 0.00 +0.163 C BRANCH 31 32 ATOM 32 C LIG 1 5.794 0.289 0.016 0.00 0.00 +0.107 C BRANCH 32 33 ATOM 33 N LIG 1 7.024 0.316 0.824 0.00 0.00 -0.307 NA ATOM 34 C LIG 1 8.094 -0.502 0.259 0.00 0.00 +0.104 C ATOM 35 C LIG 1 6.797 -0.006 2.229 0.00 0.00 +0.104 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 13