REMARK Name = BDB065065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.994 -1.731 2.216 0.00 0.00 +0.162 C ENDROOT BRANCH 1 11 ATOM 2 C LIG 1 4.188 -0.586 -0.129 0.00 0.00 +0.180 A ATOM 3 N LIG 1 3.146 -0.953 0.632 0.00 0.00 -0.208 NA ATOM 4 C LIG 1 2.913 -2.276 0.744 0.00 0.00 +0.148 A ATOM 5 C LIG 1 3.702 -3.226 0.111 0.00 0.00 +0.036 A ATOM 6 C LIG 1 3.429 -4.647 0.243 0.00 0.00 +0.018 A ATOM 7 C LIG 1 2.397 -5.041 0.995 0.00 0.00 +0.071 A ATOM 8 C LIG 1 1.526 -4.066 1.699 0.00 0.00 +0.253 A ATOM 9 O LIG 1 0.597 -4.503 2.373 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 4.750 -2.732 -0.636 0.00 0.00 +0.124 A ATOM 11 N LIG 1 1.823 -2.723 1.540 0.00 0.00 -0.288 N ATOM 12 N LIG 1 5.019 -1.421 -0.769 0.00 0.00 -0.234 NA BRANCH 2 15 ATOM 13 C LIG 1 2.059 1.884 -0.040 0.00 0.00 +0.048 C ATOM 14 C LIG 1 3.526 1.912 -0.252 0.00 0.00 -0.002 A ATOM 15 C LIG 1 4.417 0.842 -0.289 0.00 0.00 +0.108 A ATOM 16 N LIG 1 5.647 1.416 -0.530 0.00 0.00 -0.263 N ATOM 17 C LIG 1 6.932 0.763 -0.635 0.00 0.00 +0.173 C ATOM 18 N LIG 1 5.608 2.760 -0.640 0.00 0.00 -0.179 NA ATOM 19 C LIG 1 4.321 3.055 -0.476 0.00 0.00 +0.138 A ENDBRANCH 2 15 ENDBRANCH 1 11 BRANCH 1 20 ATOM 20 C LIG 1 -0.071 -1.072 1.358 0.00 0.00 -0.028 A ATOM 21 C LIG 1 -0.565 -1.646 0.178 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -1.558 -1.003 -0.567 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -2.098 0.212 -0.135 0.00 0.00 +0.017 A ATOM 24 C LIG 1 -1.615 0.789 1.043 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -0.620 0.148 1.787 0.00 0.00 +0.006 A BRANCH 23 26 ATOM 26 C LIG 1 -3.134 0.868 -0.928 0.00 0.00 +0.142 A ATOM 27 N LIG 1 -4.432 1.105 -0.518 0.00 0.00 -0.327 N ATOM 28 C LIG 1 -5.075 1.769 -1.533 0.00 0.00 +0.120 A ATOM 29 C LIG 1 -4.159 1.879 -2.562 0.00 0.00 +0.162 A ATOM 30 N LIG 1 -2.965 1.297 -2.166 0.00 0.00 -0.224 NA BRANCH 29 31 ATOM 31 C LIG 1 -4.339 2.501 -3.916 0.00 0.00 +0.436 C ATOM 32 F LIG 1 -3.511 3.561 -4.114 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -5.607 2.969 -4.092 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -4.113 1.622 -4.927 0.00 0.00 -0.164 F ENDBRANCH 29 31 BRANCH 27 35 ATOM 35 C LIG 1 -5.048 0.696 0.742 0.00 0.00 +0.083 C ATOM 36 C LIG 1 -6.272 -0.194 0.516 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -5.395 1.907 1.609 0.00 0.00 +0.030 C ENDBRANCH 27 35 ENDBRANCH 23 26 ENDBRANCH 1 20 TORSDOF 6