REMARK Name = BDB026037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.251 1.305 0.194 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.756 -0.015 0.089 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.622 -0.257 0.054 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.549 0.802 0.108 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.031 2.104 0.205 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.860 3.159 0.247 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.339 2.361 0.250 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.471 4.333 -1.625 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.925 3.602 -0.391 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.013 3.311 0.579 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.492 4.521 1.252 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.622 2.278 1.578 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.489 1.036 1.334 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.113 1.916 1.584 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.652 1.498 0.241 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.194 2.314 -0.874 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.996 0.546 0.062 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.921 1.216 0.838 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.256 0.996 0.815 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.721 0.057 -0.023 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.908 -0.651 -0.822 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.582 -0.394 -0.761 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.073 -0.203 -0.048 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.589 -1.107 -1.072 0.00 0.00 +0.139 C ATOM 25 C LIG 1 9.064 -1.471 -0.780 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.197 -2.414 0.414 0.00 0.00 +0.039 C ATOM 27 O LIG 1 9.933 -0.345 -0.549 0.00 0.00 -0.374 OA ATOM 28 C LIG 1 9.243 0.901 -0.405 0.00 0.00 +0.179 C ATOM 29 C LIG 1 7.991 0.805 0.479 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.740 -1.023 0.026 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.681 -0.635 0.085 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.566 -2.371 -0.154 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.514 -2.972 -0.330 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.859 -3.111 -0.182 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.702 -3.307 0.986 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.853 -3.992 0.849 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.274 -4.547 -0.465 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -6.342 -5.147 -0.539 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.395 -4.333 -1.522 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -4.719 -4.866 -2.837 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -3.211 -3.630 -1.368 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.248 -2.775 2.309 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.984 -3.150 2.618 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.286 -1.418 2.337 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.037 -3.195 3.333 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6