REMARK Name = BDB025152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.679 -0.787 0.085 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.677 0.181 -0.065 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.146 1.546 -0.348 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.172 1.826 -1.854 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.346 2.572 0.449 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.873 2.489 0.109 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.373 1.070 0.079 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.979 0.831 0.111 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.042 1.744 0.204 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.162 1.050 0.195 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.896 -0.305 0.103 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.475 -0.460 0.035 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.314 -1.564 -0.102 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.695 -1.324 -0.141 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.252 -0.040 -0.025 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.854 -0.599 -0.226 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.895 -1.371 0.103 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.952 -2.138 -1.233 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.463 -3.583 -1.079 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.504 -3.686 0.035 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.934 -3.288 1.398 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.764 -2.305 1.313 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.049 -4.105 -2.380 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.502 -3.408 -3.273 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.047 -5.456 -2.456 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.670 -5.908 -1.678 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.306 -2.897 0.904 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.269 -1.940 0.686 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.541 1.631 0.276 0.00 0.00 +0.080 C BRANCH 29 30 ATOM 30 C LIG 1 -2.520 3.161 0.328 0.00 0.00 +0.064 C BRANCH 30 31 ATOM 31 C LIG 1 -3.892 3.783 0.395 0.00 0.00 +0.060 A ATOM 32 N LIG 1 -4.983 2.982 0.508 0.00 0.00 -0.257 NA ATOM 33 C LIG 1 -6.177 3.616 0.567 0.00 0.00 +0.130 A ATOM 34 C LIG 1 -6.290 4.994 0.522 0.00 0.00 +0.130 A ATOM 35 N LIG 1 -5.215 5.804 0.417 0.00 0.00 -0.260 NA ATOM 36 C LIG 1 -4.020 5.170 0.355 0.00 0.00 +0.134 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7