REMARK Name = BDB038702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.731 1.023 0.331 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.468 0.626 0.789 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.320 1.120 0.180 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.407 1.976 -0.854 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.609 2.405 -1.312 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.780 1.946 -0.718 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.041 0.725 0.626 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.163 1.129 0.045 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.405 1.830 -0.919 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.237 0.518 0.842 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.659 -0.224 1.866 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.453 -0.907 2.770 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.843 -0.827 2.622 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.430 -0.072 1.579 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.606 0.613 0.673 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.175 -0.131 1.776 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.937 0.002 1.437 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 6.433 -0.600 0.188 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 6.140 -2.041 0.111 0.00 0.00 +0.090 C ATOM 20 C LIG 1 7.011 -2.733 -0.927 0.00 0.00 +0.091 C ATOM 21 C LIG 1 8.467 -2.625 -0.517 0.00 0.00 +0.251 C ATOM 22 F LIG 1 8.812 -3.720 0.214 0.00 0.00 -0.206 F ATOM 23 F LIG 1 9.241 -2.663 -1.633 0.00 0.00 -0.206 F ATOM 24 C LIG 1 8.799 -1.386 0.295 0.00 0.00 +0.091 C ATOM 25 C LIG 1 7.842 -0.261 -0.065 0.00 0.00 +0.090 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -5.980 -0.163 0.168 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.965 0.471 0.928 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.161 0.596 2.320 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -6.318 0.117 2.941 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.317 -0.493 2.183 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -7.148 -0.626 0.804 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -3.933 -1.909 -1.494 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -4.991 -1.072 -1.991 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -5.906 -0.330 -1.285 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -6.744 0.214 -2.149 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -6.351 -0.134 -3.419 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -5.296 -0.904 -3.308 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.507 -0.979 2.817 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.460 -1.383 3.343 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -2.586 3.367 -2.482 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.608 4.467 -2.640 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.618 3.297 -3.583 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 7