REMARK Name = BDB025809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.129 0.601 0.026 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.654 -0.711 0.121 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.764 -1.774 0.291 0.00 0.00 +0.064 A ATOM 4 C LIG 1 0.608 -1.537 0.366 0.00 0.00 +0.133 A ATOM 5 F LIG 1 1.415 -2.599 0.512 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.152 -0.246 0.278 0.00 0.00 +0.022 A ATOM 7 C LIG 1 0.250 0.823 0.109 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -3.059 -0.884 0.001 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.676 -1.720 1.067 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.518 -2.918 0.526 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.942 -3.781 1.722 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.755 -3.673 -0.492 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -4.414 -4.884 -0.971 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.376 -2.802 -1.629 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.445 -1.277 -1.374 0.00 0.00 +0.120 C ENDBRANCH 2 8 BRANCH 6 16 ATOM 16 C LIG 1 2.601 -0.009 0.359 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.441 -0.667 1.236 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.775 -0.462 1.332 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.330 0.444 0.512 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.605 1.138 -0.377 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.275 0.899 -0.432 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.685 0.687 0.612 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.373 1.343 -0.504 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.540 0.467 -0.990 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.511 0.171 0.027 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.956 0.137 1.353 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.475 -0.269 1.391 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 6 16 BRANCH 1 29 ATOM 28 C LIG 1 -1.907 2.972 -0.336 0.00 0.00 +0.256 C ATOM 29 N LIG 1 -2.094 1.620 -0.127 0.00 0.00 -0.279 N ATOM 30 H LIG 1 -3.034 1.237 -0.112 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 -0.800 3.487 -0.474 0.00 0.00 -0.269 OA BRANCH 28 35 ATOM 32 C LIG 1 -5.521 6.755 -1.020 0.00 0.00 +0.073 C ATOM 33 C LIG 1 -4.811 5.482 -0.720 0.00 0.00 +0.076 A ATOM 34 S LIG 1 -3.108 5.383 -0.912 0.00 0.00 -0.068 S ATOM 35 C LIG 1 -3.143 3.739 -0.404 0.00 0.00 +0.094 A ATOM 36 C LIG 1 -4.450 3.394 -0.112 0.00 0.00 +0.132 A ATOM 37 N LIG 1 -5.398 4.382 -0.302 0.00 0.00 -0.252 NA ENDBRANCH 28 35 ENDBRANCH 1 29 TORSDOF 5