REMARK Name = BDB058583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.618 -1.591 0.418 0.00 0.00 -0.220 N ATOM 2 N LIG 1 -2.991 -2.809 0.400 0.00 0.00 -0.173 NA ATOM 3 C LIG 1 -1.696 -2.543 0.538 0.00 0.00 +0.138 A ATOM 4 C LIG 1 -1.429 -1.168 0.636 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -2.677 -0.585 0.557 0.00 0.00 +0.120 A ENDROOT BRANCH 1 10 ATOM 6 O LIG 1 -9.177 0.809 0.086 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 -7.957 0.818 0.194 0.00 0.00 +0.259 A ATOM 8 C LIG 1 -7.157 -0.421 0.184 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -5.761 -0.315 0.310 0.00 0.00 +0.122 A ATOM 10 C LIG 1 -5.054 -1.526 0.297 0.00 0.00 +0.180 A ATOM 11 N LIG 1 -5.692 -2.738 0.167 0.00 0.00 -0.234 NA ATOM 12 C LIG 1 -7.031 -2.774 0.049 0.00 0.00 +0.114 A ATOM 13 N LIG 1 -5.154 0.955 0.440 0.00 0.00 -0.233 NA ATOM 14 C LIG 1 -5.898 2.006 0.445 0.00 0.00 +0.200 A ATOM 15 C LIG 1 -7.810 -1.645 0.053 0.00 0.00 +0.035 A ATOM 16 N LIG 1 -7.252 1.981 0.329 0.00 0.00 -0.313 N ATOM 17 H LIG 1 -7.792 2.835 0.337 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -0.105 -0.499 0.789 0.00 0.00 +0.053 C BRANCH 18 19 ATOM 19 C LIG 1 0.565 -0.225 -0.569 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 1.926 0.327 -0.451 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 2.660 0.168 -1.718 0.00 0.00 +0.085 C ATOM 22 C LIG 1 3.765 1.207 -1.951 0.00 0.00 +0.023 C ATOM 23 C LIG 1 4.443 1.675 -0.658 0.00 0.00 +0.022 C ATOM 24 C LIG 1 3.397 2.104 0.393 0.00 0.00 +0.023 C ATOM 25 C LIG 1 1.960 1.706 0.028 0.00 0.00 +0.085 C BRANCH 23 26 ATOM 26 C LIG 1 5.465 0.658 -0.166 0.00 0.00 -0.041 A ATOM 27 C LIG 1 5.111 -0.454 0.612 0.00 0.00 +0.042 A ATOM 28 C LIG 1 6.081 -1.364 1.021 0.00 0.00 +0.124 A ATOM 29 F LIG 1 5.722 -2.419 1.766 0.00 0.00 -0.205 F ATOM 30 C LIG 1 7.414 -1.201 0.669 0.00 0.00 +0.038 A ATOM 31 C LIG 1 7.784 -0.108 -0.110 0.00 0.00 +0.003 A ATOM 32 C LIG 1 6.817 0.812 -0.526 0.00 0.00 +0.004 A ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 5