REMARK Name = BDB032175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.753 0.336 -2.583 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -2.666 0.144 -1.562 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.016 0.748 -1.373 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -4.496 0.091 -0.164 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -3.511 -0.684 0.428 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -3.537 -1.251 1.503 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.368 -0.693 -0.490 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -1.170 -1.371 -0.378 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -0.234 -1.204 -1.407 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.530 -0.345 -2.497 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.708 0.541 0.512 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.398 1.646 1.535 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -4.475 2.450 1.409 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.293 1.775 2.572 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.106 2.522 3.226 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.453 1.071 2.778 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -8.225 1.375 3.683 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.768 -0.024 1.786 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.500 -0.590 1.168 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -1.206 1.416 -4.626 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -2.141 1.181 -3.580 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 1.105 -1.895 -1.331 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 2.008 -1.009 -0.666 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 3.276 -1.488 -0.573 0.00 0.00 +0.405 C ATOM 25 N LIG 1 4.026 -0.564 0.097 0.00 0.00 -0.251 N ATOM 26 H LIG 1 3.498 0.250 0.381 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 3.632 -2.562 -1.029 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 5.389 -0.622 0.431 0.00 0.00 +0.040 A ATOM 29 C LIG 1 5.926 0.469 1.130 0.00 0.00 +0.072 A ATOM 30 C LIG 1 7.274 0.498 1.511 0.00 0.00 +0.164 A ATOM 31 C LIG 1 8.088 -0.582 1.171 0.00 0.00 +0.165 A ATOM 32 F LIG 1 9.391 -0.599 1.479 0.00 0.00 -0.202 F ATOM 33 C LIG 1 7.570 -1.673 0.478 0.00 0.00 +0.044 A ATOM 34 C LIG 1 6.222 -1.695 0.109 0.00 0.00 +0.026 A BRANCH 30 35 ATOM 35 O LIG 1 7.646 1.630 2.181 0.00 0.00 -0.431 OA BRANCH 35 36 ATOM 36 C LIG 1 8.932 1.634 2.780 0.00 0.00 +0.541 C ATOM 37 F LIG 1 9.069 2.831 3.409 0.00 0.00 -0.166 F ATOM 38 F LIG 1 8.974 0.688 3.749 0.00 0.00 -0.166 F ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 8