REMARK Name = BDB026265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.777 -1.555 -1.233 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.124 -0.454 -0.633 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.202 -0.158 -0.961 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.928 -0.939 -1.887 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.255 -2.028 -2.461 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.879 -2.834 -3.335 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.072 -2.334 -2.150 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.500 -1.181 -2.608 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.530 -1.637 -1.514 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.837 -2.998 -0.977 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.892 -4.027 -2.018 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.850 -3.307 0.103 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.080 -4.669 0.765 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.363 -3.164 -0.341 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.129 -1.804 -0.880 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.057 -1.465 -1.988 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.333 -0.604 -2.204 0.00 0.00 +0.079 A ATOM 18 N LIG 1 4.001 0.038 -1.220 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 5.277 0.407 -1.413 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.928 0.145 -2.554 0.00 0.00 -0.223 NA ATOM 21 C LIG 1 5.251 -0.493 -3.524 0.00 0.00 +0.116 A ATOM 22 C LIG 1 3.942 -0.887 -3.406 0.00 0.00 +0.048 A BRANCH 19 23 ATOM 23 N LIG 1 5.936 1.058 -0.385 0.00 0.00 -0.295 N ATOM 24 C LIG 1 5.073 1.636 0.656 0.00 0.00 +0.139 C ATOM 25 C LIG 1 5.931 2.450 1.648 0.00 0.00 +0.133 C ATOM 26 C LIG 1 5.077 3.040 2.762 0.00 0.00 +0.039 C ATOM 27 O LIG 1 6.638 3.539 1.021 0.00 0.00 -0.374 OA ATOM 28 C LIG 1 6.959 3.296 -0.358 0.00 0.00 +0.179 C ATOM 29 C LIG 1 7.155 1.810 -0.698 0.00 0.00 +0.136 C ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.898 0.279 0.291 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.835 -0.111 0.386 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.522 1.355 1.053 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.573 1.900 1.094 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.615 1.826 1.953 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.852 2.432 1.488 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.761 2.833 2.397 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.527 2.667 3.856 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -4.396 3.033 4.641 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.308 2.098 4.212 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -1.986 1.927 5.621 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -1.377 1.697 3.268 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.066 2.626 0.021 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.153 3.397 -0.246 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.014 3.221 -0.590 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.282 1.442 -0.607 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6