REMARK Name = BDB025174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.549 1.146 -0.716 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.353 1.360 -1.428 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.411 2.100 -2.706 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.737 1.157 -3.872 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.153 2.928 -2.949 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.929 2.042 -2.963 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.895 1.146 -1.758 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.656 0.588 -1.358 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.578 0.742 -1.938 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.423 0.043 -1.204 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.761 -0.577 -0.157 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.577 -0.247 -0.253 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.706 -0.584 0.490 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.934 -0.042 0.080 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.068 0.819 -1.024 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.672 0.601 0.375 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.364 -1.471 0.829 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.913 -2.928 0.638 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.720 -3.886 1.533 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.048 -3.291 2.912 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.120 -2.141 3.289 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.208 -0.989 2.285 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.005 -4.299 0.842 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.565 -3.712 -0.070 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.526 -5.428 1.359 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.348 -5.580 0.846 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.888 1.445 -0.707 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.642 1.637 -1.382 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.884 -0.111 -1.512 0.00 0.00 +0.131 C BRANCH 29 30 ATOM 30 C LIG 1 -3.841 0.570 -0.553 0.00 0.00 +0.069 A ATOM 31 N LIG 1 -3.346 1.259 0.511 0.00 0.00 -0.231 NA ATOM 32 C LIG 1 -4.330 1.803 1.255 0.00 0.00 +0.157 A ATOM 33 C LIG 1 -5.699 1.685 1.030 0.00 0.00 +0.107 A ATOM 34 C LIG 1 -6.357 2.401 2.058 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -5.380 2.945 2.872 0.00 0.00 +0.086 A ATOM 36 N LIG 1 -6.195 0.979 -0.019 0.00 0.00 -0.250 NA ATOM 37 N LIG 1 -4.153 2.578 2.367 0.00 0.00 -0.345 N ATOM 38 H LIG 1 -3.247 2.834 2.736 0.00 0.00 +0.167 HD ATOM 39 C LIG 1 -5.216 0.443 -0.792 0.00 0.00 +0.135 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6