REMARK Name = BDB061568 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.798 0.747 1.140 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -0.563 2.069 0.797 0.00 0.00 +0.110 A ATOM 3 C LIG 1 0.588 2.629 1.328 0.00 0.00 +0.126 A ATOM 4 N LIG 1 1.419 1.960 2.158 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 1.113 0.687 2.426 0.00 0.00 +0.190 A ATOM 6 N LIG 1 0.024 0.060 1.969 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -3.401 -0.889 -1.078 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -4.199 -1.541 -0.136 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -3.907 -1.436 1.231 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -2.789 -0.688 1.625 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -1.963 -0.037 0.683 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -2.274 -0.172 -0.679 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -4.450 0.146 -2.831 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -3.683 -0.990 -2.416 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -5.313 -2.229 -0.552 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -4.963 -3.586 -0.827 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -4.750 -2.097 2.084 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -4.517 -1.953 3.479 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -1.468 2.816 -0.015 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -2.208 3.421 -0.673 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 1.084 4.321 1.026 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 1.710 4.131 -0.602 0.00 0.00 +0.141 A ATOM 23 S LIG 1 2.560 5.395 -1.396 0.00 0.00 -0.069 S ATOM 24 C LIG 1 2.713 4.403 -2.787 0.00 0.00 +0.067 A ATOM 25 C LIG 1 2.109 3.186 -2.556 0.00 0.00 +0.120 A ATOM 26 N LIG 1 1.551 3.026 -1.301 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 2.164 -0.225 3.517 0.00 0.00 -0.081 S BRANCH 27 28 ATOM 28 C LIG 1 3.786 0.272 2.865 0.00 0.00 +0.112 C BRANCH 28 29 ATOM 29 C LIG 1 4.069 -0.261 1.482 0.00 0.00 -0.037 A ATOM 30 C LIG 1 4.005 0.583 0.365 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.263 0.090 -0.917 0.00 0.00 +0.003 A ATOM 32 C LIG 1 4.578 -1.258 -1.108 0.00 0.00 -0.050 A ATOM 33 C LIG 1 4.864 -1.780 -2.485 0.00 0.00 +0.044 C ATOM 34 C LIG 1 4.658 -2.101 0.005 0.00 0.00 +0.003 A ATOM 35 C LIG 1 4.398 -1.609 1.288 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10