REMARK Name = BDB021564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.333 1.482 -1.049 0.00 0.00 +0.124 A ATOM 2 C LIG 1 3.180 0.535 -0.042 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.904 0.113 0.399 0.00 0.00 +0.136 A ATOM 4 O LIG 1 2.027 -0.814 1.394 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.939 -0.929 2.293 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -0.205 -1.646 1.612 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.107 -0.706 0.966 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.693 0.260 0.050 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.555 0.844 -0.618 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.745 0.621 -0.201 0.00 0.00 +0.079 A ATOM 11 C LIG 1 0.925 1.592 -1.214 0.00 0.00 +0.020 A ATOM 12 C LIG 1 2.191 2.020 -1.625 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.507 1.972 -1.541 0.00 0.00 -0.489 OA BRANCH 13 17 ATOM 14 N LIG 1 8.381 0.768 -0.688 0.00 0.00 -0.290 NA ATOM 15 C LIG 1 8.184 1.583 -1.890 0.00 0.00 +0.089 C ATOM 16 C LIG 1 6.720 1.532 -2.341 0.00 0.00 +0.060 C ATOM 17 C LIG 1 5.737 1.337 -1.175 0.00 0.00 +0.176 C ATOM 18 C LIG 1 6.316 1.976 0.085 0.00 0.00 +0.060 C ATOM 19 C LIG 1 7.651 1.327 0.463 0.00 0.00 +0.089 C BRANCH 14 20 ATOM 20 C LIG 1 9.810 0.582 -0.355 0.00 0.00 +0.203 C BRANCH 20 22 ATOM 21 N LIG 1 11.146 -0.914 -2.077 0.00 0.00 -0.195 NA ATOM 22 C LIG 1 10.548 -0.263 -1.322 0.00 0.00 +0.078 C ENDBRANCH 20 22 ENDBRANCH 14 20 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 C LIG 1 -2.550 -1.026 1.025 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.002 -1.948 -0.124 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.163 -1.234 -1.357 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -2.634 -0.408 -1.295 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.293 -2.750 0.188 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.564 -2.086 0.508 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.967 -1.074 -0.480 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -7.329 -0.474 -0.181 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.878 -0.536 1.113 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -9.124 0.052 1.369 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.810 0.720 0.355 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.259 0.801 -0.922 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.157 -1.292 2.201 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -8.023 0.211 -1.189 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.681 -1.558 1.865 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 9