REMARK Name = BDB057879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.530 4.520 -0.426 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.144 4.736 -0.394 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -1.294 3.643 -0.217 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -1.812 2.330 -0.071 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -3.189 2.128 -0.084 0.00 0.00 +0.082 A ATOM 6 N LIG 1 -3.743 0.923 0.072 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 -2.948 -0.137 0.267 0.00 0.00 +0.220 A ATOM 8 N LIG 1 -1.613 -0.032 0.287 0.00 0.00 -0.199 NA ATOM 9 C LIG 1 -1.044 1.171 0.102 0.00 0.00 +0.132 A ATOM 10 C LIG 1 -4.027 3.221 -0.267 0.00 0.00 +0.078 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -3.532 -1.397 0.473 0.00 0.00 -0.300 N ATOM 12 C LIG 1 -4.897 -1.500 -0.048 0.00 0.00 +0.108 C ATOM 13 C LIG 1 -5.534 -2.822 0.381 0.00 0.00 +0.019 C ATOM 14 C LIG 1 -4.657 -4.011 0.009 0.00 0.00 +0.003 C ATOM 15 C LIG 1 -3.263 -3.838 0.599 0.00 0.00 +0.019 C ATOM 16 C LIG 1 -2.634 -2.513 0.170 0.00 0.00 +0.108 C ENDBRANCH 7 11 BRANCH 1 18 ATOM 17 C LIG 1 -5.721 5.459 -0.609 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -4.311 5.634 -0.612 0.00 0.00 -0.491 OA ENDBRANCH 1 18 BRANCH 2 19 ATOM 19 O LIG 1 -1.725 6.032 -0.549 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -0.339 6.302 -0.395 0.00 0.00 +0.277 C ENDBRANCH 2 19 BRANCH 9 21 ATOM 21 N LIG 1 0.364 1.268 0.113 0.00 0.00 -0.326 N ATOM 22 H LIG 1 0.675 1.757 -0.722 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.117 0.025 0.329 0.00 0.00 +0.074 C ATOM 24 C LIG 1 1.215 -0.800 -0.957 0.00 0.00 +0.037 C ATOM 25 C LIG 1 2.118 -2.013 -0.749 0.00 0.00 +0.086 C ATOM 26 N LIG 1 3.461 -1.608 -0.309 0.00 0.00 -0.298 NA ATOM 27 C LIG 1 3.394 -0.853 0.953 0.00 0.00 +0.086 C ATOM 28 C LIG 1 2.526 0.395 0.801 0.00 0.00 +0.037 C BRANCH 26 29 ATOM 29 C LIG 1 4.328 -2.795 -0.179 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 C LIG 1 5.795 -2.457 -0.009 0.00 0.00 -0.033 A ATOM 31 C LIG 1 6.462 -1.678 -0.966 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.816 -1.377 -0.819 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.521 -1.857 0.283 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.871 -2.636 1.240 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.515 -2.937 1.094 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 9 21 TORSDOF 7