REMARK Name = BDB063192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.210 -1.604 0.883 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.237 -0.592 -0.069 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -1.439 -0.256 -0.714 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.648 -0.903 -0.425 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.590 -1.927 0.532 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.396 -2.270 1.178 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.842 -0.594 -1.058 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -3.961 0.370 -2.169 0.00 0.00 +0.088 C ATOM 9 C LIG 1 -5.473 0.629 -2.249 0.00 0.00 +0.069 C ATOM 10 C LIG 1 -5.913 0.568 -0.790 0.00 0.00 +0.192 C ATOM 11 C LIG 1 -5.089 -0.619 -0.269 0.00 0.00 +0.150 C BRANCH 8 12 ATOM 12 C LIG 1 -3.426 -0.205 -3.475 0.00 0.00 +0.143 C BRANCH 12 13 ATOM 13 C LIG 1 -3.428 0.849 -4.538 0.00 0.00 +0.306 C ATOM 14 O LIG 1 -4.262 0.988 -5.416 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 -2.392 1.702 -4.434 0.00 0.00 -0.481 OA ATOM 16 H LIG 1 -2.509 2.316 -5.191 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 8 12 BRANCH 10 17 ATOM 17 O LIG 1 -7.317 0.343 -0.749 0.00 0.00 -0.487 OA BRANCH 17 18 ATOM 18 C LIG 1 -7.966 0.496 0.443 0.00 0.00 +0.121 A ATOM 19 C LIG 1 -7.410 0.952 1.638 0.00 0.00 +0.045 A ATOM 20 C LIG 1 -8.202 1.058 2.787 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -9.551 0.711 2.746 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -10.113 0.259 1.555 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -9.321 0.153 0.410 0.00 0.00 +0.045 A ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 O LIG 1 0.877 -2.033 1.589 0.00 0.00 -0.489 OA BRANCH 24 28 ATOM 25 N LIG 1 4.737 -0.549 1.918 0.00 0.00 -0.327 N ATOM 26 C LIG 1 3.672 -0.020 2.766 0.00 0.00 +0.109 C ATOM 27 C LIG 1 2.330 -0.125 2.051 0.00 0.00 +0.063 C ATOM 28 C LIG 1 2.162 -1.462 1.309 0.00 0.00 +0.176 C ATOM 29 C LIG 1 3.210 -2.487 1.753 0.00 0.00 +0.063 C ATOM 30 C LIG 1 4.619 -1.953 1.504 0.00 0.00 +0.109 C BRANCH 25 33 ATOM 31 C LIG 1 7.847 0.548 0.168 0.00 0.00 +0.122 A ATOM 32 C LIG 1 6.883 -0.236 0.823 0.00 0.00 +0.071 A ATOM 33 C LIG 1 5.646 0.277 1.261 0.00 0.00 +0.069 A ATOM 34 C LIG 1 5.426 1.641 0.996 0.00 0.00 +0.145 A ATOM 35 F LIG 1 4.266 2.231 1.323 0.00 0.00 -0.204 F ATOM 36 C LIG 1 6.369 2.436 0.340 0.00 0.00 +0.044 A ATOM 37 C LIG 1 7.581 1.891 -0.077 0.00 0.00 +0.048 A BRANCH 31 38 ATOM 38 O LIG 1 8.982 -0.128 -0.180 0.00 0.00 -0.492 OA BRANCH 38 40 ATOM 39 C LIG 1 10.013 0.696 -2.214 0.00 0.00 +0.048 C ATOM 40 C LIG 1 10.091 0.604 -0.700 0.00 0.00 +0.225 C ENDBRANCH 38 40 ENDBRANCH 31 38 ENDBRANCH 25 33 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 11