REMARK Name = BDB032176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.507 1.491 -1.689 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -2.380 0.723 -0.940 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -3.756 1.048 -0.464 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -4.104 -0.125 0.333 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -3.140 -1.118 0.242 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -3.176 -2.242 0.704 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.026 -0.561 -0.532 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -0.814 -1.140 -0.847 0.00 0.00 +0.020 A ATOM 9 C LIG 1 0.085 -0.386 -1.613 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.265 0.929 -2.017 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.455 -0.402 0.804 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.417 -0.729 -0.350 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.066 -0.973 -1.502 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.753 -0.733 -0.018 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.381 -0.933 -0.786 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.325 -0.057 1.030 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.529 0.180 1.050 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.402 0.351 2.155 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.033 0.748 1.624 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -1.093 3.518 -2.854 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -1.948 2.735 -2.030 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 1.438 -0.952 -1.965 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 2.332 -0.620 -0.901 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 3.610 -1.026 -1.113 0.00 0.00 +0.405 C ATOM 25 N LIG 1 4.353 -0.662 -0.025 0.00 0.00 -0.251 N ATOM 26 H LIG 1 3.810 -0.190 0.685 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 3.982 -1.611 -2.117 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 5.726 -0.861 0.200 0.00 0.00 +0.043 A ATOM 29 C LIG 1 6.250 -0.397 1.420 0.00 0.00 +0.069 A ATOM 30 C LIG 1 7.608 -0.550 1.722 0.00 0.00 +0.131 A ATOM 31 C LIG 1 8.450 -1.150 0.787 0.00 0.00 +0.084 A ATOM 32 C LIG 1 7.930 -1.610 -0.415 0.00 0.00 +0.129 A ATOM 33 F LIG 1 8.747 -2.193 -1.302 0.00 0.00 -0.205 F ATOM 34 C LIG 1 6.578 -1.476 -0.716 0.00 0.00 +0.062 A BRANCH 30 35 ATOM 35 O LIG 1 8.229 -0.130 2.865 0.00 0.00 -0.434 OA BRANCH 35 36 ATOM 36 C LIG 1 7.398 0.106 3.990 0.00 0.00 +0.541 C ATOM 37 F LIG 1 8.209 0.312 5.058 0.00 0.00 -0.166 F ATOM 38 F LIG 1 6.707 1.258 3.800 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