REMARK Name = BDB026264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.659 -1.615 -0.671 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.099 -0.483 -0.294 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.442 -0.623 0.065 0.00 0.00 +0.038 A ATOM 4 C LIG 1 2.081 -1.881 0.059 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.304 -2.986 -0.318 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.832 -4.221 -0.328 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.039 -2.864 -0.678 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.138 -4.125 -2.576 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.547 -2.648 -2.667 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.733 -2.441 -1.798 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.777 -1.696 -2.508 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.409 -1.789 -0.501 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.367 -2.308 0.577 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.949 -2.016 -0.033 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.017 -1.434 -1.017 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.338 -1.699 -2.436 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.502 -1.997 0.448 0.00 0.00 +0.079 A ATOM 18 N LIG 1 3.928 -1.074 1.340 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 5.208 -1.076 1.734 0.00 0.00 +0.218 A ATOM 20 N LIG 1 6.093 -1.977 1.281 0.00 0.00 -0.223 NA ATOM 21 C LIG 1 5.654 -2.889 0.397 0.00 0.00 +0.116 A ATOM 22 C LIG 1 4.363 -2.943 -0.062 0.00 0.00 +0.048 A BRANCH 19 23 ATOM 23 N LIG 1 5.628 -0.134 2.656 0.00 0.00 -0.295 N ATOM 24 C LIG 1 4.803 1.066 2.857 0.00 0.00 +0.136 C ATOM 25 C LIG 1 5.607 2.323 2.488 0.00 0.00 +0.179 C ATOM 26 O LIG 1 6.819 2.483 3.246 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 7.372 1.239 3.705 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.077 0.056 2.771 0.00 0.00 +0.136 C ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -0.596 0.746 -0.314 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.566 0.622 -0.599 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.116 2.000 -0.033 0.00 0.00 +0.250 C ATOM 32 O LIG 1 1.026 2.312 0.279 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.147 3.063 -0.210 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.348 3.186 0.602 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.199 4.199 0.357 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -2.940 5.187 -0.724 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -3.763 6.075 -0.924 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -1.756 5.011 -1.432 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -1.411 5.952 -2.488 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -0.884 3.968 -1.167 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -2.587 2.206 1.708 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.923 0.986 1.216 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.614 2.582 2.515 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.508 2.040 2.508 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6