REMARK Name = BDB051510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.523 0.793 0.091 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.005 1.163 -1.147 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.047 0.438 -1.728 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.588 -0.672 -1.070 0.00 0.00 -0.043 A ATOM 5 C LIG 1 -1.050 -1.045 0.169 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.005 -0.316 0.748 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.544 1.588 0.527 0.00 0.00 -0.490 OA BRANCH 7 8 ATOM 8 C LIG 1 2.247 1.234 1.718 0.00 0.00 +0.250 C BRANCH 8 9 ATOM 9 C LIG 1 3.305 0.159 1.469 0.00 0.00 +0.164 C BRANCH 9 11 ATOM 10 C LIG 1 5.569 1.280 1.295 0.00 0.00 +0.111 A ATOM 11 N LIG 1 4.461 0.665 0.747 0.00 0.00 -0.324 N ATOM 12 C LIG 1 4.652 0.572 -0.616 0.00 0.00 +0.069 A ATOM 13 C LIG 1 5.894 1.161 -0.831 0.00 0.00 +0.092 A ATOM 14 C LIG 1 6.421 1.247 -2.136 0.00 0.00 -0.023 A ATOM 15 C LIG 1 5.644 0.719 -3.186 0.00 0.00 +0.005 A ATOM 16 C LIG 1 4.399 0.134 -2.948 0.00 0.00 +0.002 A ATOM 17 C LIG 1 7.752 1.867 -2.441 0.00 0.00 +0.046 C ATOM 18 C LIG 1 3.876 0.048 -1.656 0.00 0.00 +0.028 A ATOM 19 N LIG 1 6.438 1.591 0.355 0.00 0.00 -0.232 NA BRANCH 10 20 ATOM 20 C LIG 1 5.765 1.570 2.749 0.00 0.00 +0.074 C BRANCH 20 22 ATOM 21 C LIG 1 6.473 -0.764 3.493 0.00 0.00 +0.004 C ATOM 22 C LIG 1 6.861 0.703 3.374 0.00 0.00 +0.004 C ENDBRANCH 20 22 ENDBRANCH 10 20 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -2.724 -1.457 -1.686 0.00 0.00 +0.094 C BRANCH 23 24 ATOM 24 C LIG 1 -4.175 -1.040 -1.302 0.00 0.00 +0.207 C ATOM 25 C LIG 1 -4.446 0.402 -1.774 0.00 0.00 +0.068 C BRANCH 24 26 ATOM 26 C LIG 1 -4.298 -1.219 0.231 0.00 0.00 +0.351 C ATOM 27 O LIG 1 -4.190 -2.296 0.811 0.00 0.00 -0.246 OA BRANCH 26 28 ATOM 28 O LIG 1 -4.508 -0.033 0.870 0.00 0.00 -0.462 OA BRANCH 28 29 ATOM 29 C LIG 1 -4.613 -0.133 2.294 0.00 0.00 +0.229 C ATOM 30 C LIG 1 -4.824 1.261 2.850 0.00 0.00 +0.048 C ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 BRANCH 24 31 ATOM 31 O LIG 1 -4.998 -1.971 -2.055 0.00 0.00 -0.474 OA BRANCH 31 32 ATOM 32 C LIG 1 -6.343 -1.894 -1.829 0.00 0.00 +0.122 A ATOM 33 C LIG 1 -7.140 -1.165 -2.710 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -8.522 -1.119 -2.524 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -9.107 -1.828 -1.475 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.313 -2.595 -0.623 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -6.930 -2.641 -0.810 0.00 0.00 +0.046 A ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 13