REMARK Name = BDB027202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.175 0.115 0.834 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.478 1.081 0.052 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -1.865 0.951 -0.052 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -2.610 -0.023 0.523 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.968 -0.954 1.266 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -0.585 -0.909 1.432 0.00 0.00 +0.035 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 0.251 2.121 -0.549 0.00 0.00 -0.327 N ATOM 8 C LIG 1 0.352 3.330 0.309 0.00 0.00 +0.129 C ATOM 9 C LIG 1 -0.314 4.546 -0.351 0.00 0.00 +0.138 C ATOM 10 C LIG 1 0.361 4.786 -1.726 0.00 0.00 +0.267 C ATOM 11 F LIG 1 -0.520 5.477 -2.508 0.00 0.00 -0.204 F ATOM 12 F LIG 1 1.448 5.593 -1.597 0.00 0.00 -0.204 F ATOM 13 C LIG 1 0.788 3.527 -2.461 0.00 0.00 +0.096 C ATOM 14 C LIG 1 -0.034 2.346 -1.979 0.00 0.00 +0.111 C BRANCH 9 15 ATOM 15 N LIG 1 -0.310 5.723 0.549 0.00 0.00 -0.321 NA ATOM 16 H LIG 1 -0.566 6.554 0.010 0.00 0.00 +0.119 HD ATOM 17 H LIG 1 -1.024 5.614 1.268 0.00 0.00 +0.119 HD ENDBRANCH 9 15 ENDBRANCH 2 7 BRANCH 5 18 ATOM 18 C LIG 1 -2.822 -2.003 1.862 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -2.495 -2.637 3.073 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -3.322 -3.624 3.607 0.00 0.00 +0.124 A ATOM 21 F LIG 1 -2.983 -4.206 4.764 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -4.490 -4.011 2.965 0.00 0.00 +0.038 A ATOM 23 C LIG 1 -4.842 -3.396 1.769 0.00 0.00 +0.003 A ATOM 24 C LIG 1 -4.017 -2.403 1.229 0.00 0.00 +0.010 A ENDBRANCH 5 18 BRANCH 1 25 ATOM 25 C LIG 1 1.675 0.100 1.004 0.00 0.00 +0.161 C BRANCH 25 30 ATOM 26 C LIG 1 3.599 -3.588 -1.475 0.00 0.00 +0.147 A ATOM 27 C LIG 1 3.226 -2.256 -1.227 0.00 0.00 +0.147 A ATOM 28 N LIG 1 3.377 -1.093 -1.958 0.00 0.00 -0.231 NA ATOM 29 C LIG 1 2.833 -0.157 -1.210 0.00 0.00 +0.202 A ATOM 30 N LIG 1 2.318 -0.663 -0.047 0.00 0.00 -0.310 N ATOM 31 C LIG 1 2.568 -2.008 -0.033 0.00 0.00 +0.166 A ATOM 32 N LIG 1 2.247 -2.898 0.921 0.00 0.00 -0.216 NA ATOM 33 C LIG 1 2.643 -4.139 0.567 0.00 0.00 +0.225 A ATOM 34 N LIG 1 3.281 -4.530 -0.558 0.00 0.00 -0.219 NA BRANCH 26 35 ATOM 35 N LIG 1 4.264 -3.991 -2.626 0.00 0.00 -0.341 N ATOM 36 H LIG 1 4.126 -4.973 -2.821 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 4.166 -3.337 -3.395 0.00 0.00 +0.144 HD ENDBRANCH 26 35 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 6