REMARK Name = BDB029332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.231 2.063 -0.709 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.251 0.829 -1.159 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.292 -0.257 -1.262 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.653 1.034 -1.547 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.557 0.113 -2.043 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.857 0.555 -2.333 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.196 1.912 -2.120 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.261 2.838 -1.617 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.983 2.366 -1.333 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.797 3.092 -0.785 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.820 1.565 0.393 0.00 0.00 -0.039 A ATOM 12 C LIG 1 2.508 1.331 -0.091 0.00 0.00 +0.027 A ATOM 13 C LIG 1 1.537 2.337 -0.215 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.898 3.634 0.170 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.175 3.906 0.659 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.117 2.885 0.764 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.902 0.368 0.509 0.00 0.00 +0.005 C ATOM 18 C LIG 1 6.385 0.720 0.105 0.00 0.00 +0.030 C ATOM 19 C LIG 1 6.474 -0.585 -0.710 0.00 0.00 +0.093 C ATOM 20 C LIG 1 4.930 -0.617 -0.723 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 7.121 -1.696 -0.042 0.00 0.00 +0.066 C ATOM 22 N LIG 1 7.614 -2.582 0.523 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 4.710 -0.388 1.851 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 6.301 -1.887 4.073 0.00 0.00 +0.151 C ATOM 25 N LIG 1 6.122 -0.463 3.964 0.00 0.00 -0.320 N ATOM 26 C LIG 1 5.421 0.231 3.009 0.00 0.00 +0.134 A ATOM 27 N LIG 1 5.498 1.515 3.297 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 6.260 1.664 4.430 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 6.627 0.467 4.819 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.620 4.283 -1.394 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -3.433 4.668 -0.102 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.856 5.123 -2.145 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -4.913 4.580 -1.693 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -4.891 -0.425 -2.853 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -5.187 -1.481 -1.884 0.00 0.00 -0.297 NA ATOM 36 C LIG 1 -5.879 -1.007 -0.682 0.00 0.00 +0.094 C ATOM 37 C LIG 1 -6.467 -2.272 -0.060 0.00 0.00 +0.077 C ATOM 38 C LIG 1 -6.438 -3.323 -1.194 0.00 0.00 +0.013 C ATOM 39 C LIG 1 -5.370 -4.359 -0.785 0.00 0.00 +0.011 C ATOM 40 C LIG 1 -4.562 -3.708 0.331 0.00 0.00 +0.076 C ATOM 41 C LIG 1 -5.615 -2.885 1.034 0.00 0.00 +0.253 C ATOM 42 F LIG 1 -6.391 -3.714 1.782 0.00 0.00 -0.205 F ATOM 43 F LIG 1 -5.096 -1.972 1.872 0.00 0.00 -0.205 F ATOM 44 C LIG 1 -6.058 -2.519 -2.434 0.00 0.00 +0.088 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8