REMARK Name = BDB023887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.898 4.970 1.805 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.585 4.618 1.155 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.364 3.284 0.831 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.017 2.976 0.305 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -1.922 1.582 -0.211 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.836 0.790 -0.660 0.00 0.00 +0.165 A ATOM 7 N LIG 1 -1.208 -0.477 -0.898 0.00 0.00 -0.152 NA ATOM 8 N LIG 1 -2.533 -0.495 -0.663 0.00 0.00 -0.263 N ATOM 9 C LIG 1 -2.985 0.697 -0.186 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -4.334 1.020 0.335 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -4.191 2.174 1.346 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -2.757 5.499 0.917 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 0.557 1.123 -0.827 0.00 0.00 -0.296 N ATOM 14 C LIG 1 1.628 0.250 -0.555 0.00 0.00 +0.057 A ATOM 15 C LIG 1 2.817 0.961 -0.715 0.00 0.00 +0.001 A ATOM 16 C LIG 1 4.050 0.322 -0.465 0.00 0.00 +0.020 A ATOM 17 C LIG 1 4.091 -1.020 -0.044 0.00 0.00 +0.003 A ATOM 18 C LIG 1 2.889 -1.719 0.132 0.00 0.00 +0.062 A ATOM 19 C LIG 1 2.474 2.259 -1.146 0.00 0.00 +0.031 A ATOM 20 C LIG 1 1.654 -1.091 -0.117 0.00 0.00 +0.046 A ATOM 21 C LIG 1 1.101 2.326 -1.276 0.00 0.00 +0.023 A ATOM 22 C LIG 1 0.337 3.436 -1.905 0.00 0.00 +0.064 C BRANCH 17 23 ATOM 23 C LIG 1 5.390 -1.628 0.188 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.374 -1.082 0.986 0.00 0.00 +0.116 A ATOM 25 N LIG 1 7.428 -1.948 0.937 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.691 -1.821 1.622 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.210 -3.013 0.147 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.964 -2.825 -0.299 0.00 0.00 +0.142 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 2.856 -3.078 0.598 0.00 0.00 +0.100 C ATOM 30 N LIG 1 2.805 -4.176 0.971 0.00 0.00 -0.191 NA ENDBRANCH 18 29 ENDBRANCH 6 13 BRANCH 8 31 ATOM 31 C LIG 1 -3.287 -1.729 -0.873 0.00 0.00 +0.112 C ATOM 32 C LIG 1 -3.021 -2.349 -2.254 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -2.068 -3.526 -2.130 0.00 0.00 +0.162 C ATOM 34 O LIG 1 -2.617 -4.565 -1.318 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -3.365 -4.133 -0.184 0.00 0.00 +0.162 C ATOM 36 C LIG 1 -3.026 -2.723 0.267 0.00 0.00 +0.055 C ENDBRANCH 8 31 TORSDOF 4