REMARK Name = BDB058610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.562 -0.263 -2.336 0.00 0.00 -0.302 NA ATOM 2 C LIG 1 0.808 0.911 -2.800 0.00 0.00 +0.085 C ATOM 3 C LIG 1 -0.236 1.418 -1.803 0.00 0.00 +0.023 C ATOM 4 C LIG 1 -1.196 0.289 -1.396 0.00 0.00 +0.021 C ATOM 5 C LIG 1 -0.413 -0.949 -0.932 0.00 0.00 +0.023 C ATOM 6 C LIG 1 0.639 -1.349 -1.970 0.00 0.00 +0.085 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.208 0.747 -0.361 0.00 0.00 -0.044 A ATOM 8 C LIG 1 -3.577 0.742 -0.675 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -4.537 1.163 0.257 0.00 0.00 -0.046 A ATOM 10 C LIG 1 -4.118 1.586 1.523 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -2.763 1.596 1.848 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.815 1.180 0.913 0.00 0.00 +0.004 A BRANCH 9 13 ATOM 13 C LIG 1 -6.007 1.129 -0.091 0.00 0.00 +0.050 C BRANCH 13 14 ATOM 14 C LIG 1 -6.645 -0.217 0.293 0.00 0.00 +0.089 C BRANCH 14 15 ATOM 15 N LIG 1 -8.066 -0.293 -0.083 0.00 0.00 -0.298 NA ATOM 16 C LIG 1 -8.948 0.505 0.798 0.00 0.00 +0.112 C ATOM 17 C LIG 1 -9.731 -0.337 1.820 0.00 0.00 +0.175 C ATOM 18 O LIG 1 -10.563 -1.334 1.213 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 -10.045 -1.813 -0.036 0.00 0.00 +0.175 C ATOM 20 C LIG 1 -8.516 -1.702 -0.125 0.00 0.00 +0.112 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 9 13 ENDBRANCH 4 7 BRANCH 1 21 ATOM 21 C LIG 1 2.517 0.027 -1.248 0.00 0.00 +0.089 C BRANCH 21 22 ATOM 22 C LIG 1 3.702 0.907 -1.685 0.00 0.00 +0.053 C BRANCH 22 26 ATOM 23 N LIG 1 6.469 0.855 0.767 0.00 0.00 -0.220 N ATOM 24 N LIG 1 5.739 1.904 1.262 0.00 0.00 -0.173 NA ATOM 25 C LIG 1 4.700 2.028 0.441 0.00 0.00 +0.138 A ATOM 26 C LIG 1 4.704 1.078 -0.593 0.00 0.00 -0.008 A ATOM 27 C LIG 1 5.848 0.344 -0.359 0.00 0.00 +0.120 A BRANCH 23 32 ATOM 28 O LIG 1 11.539 -2.265 1.923 0.00 0.00 -0.267 OA ATOM 29 C LIG 1 10.517 -1.973 1.315 0.00 0.00 +0.259 A ATOM 30 C LIG 1 9.637 -0.868 1.740 0.00 0.00 +0.070 A ATOM 31 C LIG 1 8.482 -0.606 0.982 0.00 0.00 +0.122 A ATOM 32 C LIG 1 7.686 0.457 1.434 0.00 0.00 +0.180 A ATOM 33 N LIG 1 8.017 1.191 2.549 0.00 0.00 -0.234 NA ATOM 34 C LIG 1 9.135 0.890 3.233 0.00 0.00 +0.114 A ATOM 35 N LIG 1 8.187 -1.390 -0.155 0.00 0.00 -0.233 NA ATOM 36 C LIG 1 8.987 -2.342 -0.485 0.00 0.00 +0.200 A ATOM 37 C LIG 1 9.979 -0.129 2.870 0.00 0.00 +0.035 A ATOM 38 N LIG 1 10.121 -2.654 0.198 0.00 0.00 -0.313 N ATOM 39 H LIG 1 10.717 -3.413 -0.101 0.00 0.00 +0.170 HD ENDBRANCH 23 32 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 8