REMARK Name = BDB054902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.438 1.306 -1.749 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.606 0.262 -2.174 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.301 0.436 -3.232 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.369 1.681 -3.868 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.460 2.723 -3.455 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.357 2.537 -2.399 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.147 1.914 -0.022 0.00 0.00 +0.249 C ATOM 8 N LIG 1 2.304 1.033 -0.669 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.276 0.075 -0.326 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.303 3.100 -0.291 0.00 0.00 -0.270 OA BRANCH 7 18 ATOM 11 C LIG 1 2.352 -0.460 2.187 0.00 0.00 +0.167 A ATOM 12 C LIG 1 3.514 0.329 1.953 0.00 0.00 +0.075 A ATOM 13 C LIG 1 4.394 -0.119 2.928 0.00 0.00 +0.170 A ATOM 14 C LIG 1 5.681 0.375 3.135 0.00 0.00 +0.050 A ATOM 15 C LIG 1 6.096 1.402 2.288 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.254 1.883 1.284 0.00 0.00 +0.014 A ATOM 17 O LIG 1 3.812 -1.111 3.650 0.00 0.00 -0.353 OA ATOM 18 C LIG 1 3.961 1.349 1.085 0.00 0.00 +0.051 A ATOM 19 N LIG 1 2.534 -1.334 3.177 0.00 0.00 -0.062 NA BRANCH 11 20 ATOM 20 N LIG 1 1.200 -0.363 1.491 0.00 0.00 -0.340 N ATOM 21 H LIG 1 0.882 0.559 1.196 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 0.422 -0.896 1.879 0.00 0.00 +0.144 HD ENDBRANCH 11 20 ENDBRANCH 7 18 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -1.224 -0.686 -3.632 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 N LIG 1 -2.463 -0.629 -2.884 0.00 0.00 -0.295 N ATOM 25 H LIG 1 -2.966 0.241 -2.954 0.00 0.00 +0.151 HD ATOM 26 C LIG 1 -2.582 -1.290 -1.677 0.00 0.00 +0.304 C ATOM 27 N LIG 1 -3.809 -1.035 -1.104 0.00 0.00 -0.269 N ATOM 28 H LIG 1 -4.484 -0.597 -1.713 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 -1.701 -2.006 -1.221 0.00 0.00 -0.252 OA BRANCH 27 30 ATOM 30 C LIG 1 -4.274 -1.462 0.156 0.00 0.00 +0.038 A ATOM 31 C LIG 1 -3.477 -2.120 1.097 0.00 0.00 +0.064 A ATOM 32 C LIG 1 -4.019 -2.494 2.325 0.00 0.00 +0.160 A ATOM 33 F LIG 1 -3.243 -3.120 3.221 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -5.346 -2.220 2.627 0.00 0.00 +0.159 A ATOM 35 F LIG 1 -5.861 -2.581 3.810 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -6.151 -1.565 1.705 0.00 0.00 +0.043 A ATOM 37 C LIG 1 -5.614 -1.185 0.471 0.00 0.00 +0.026 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 6