REMARK Name = BDB039015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.512 -1.214 0.398 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.193 -1.569 0.175 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.142 -0.555 0.124 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.736 -1.102 0.090 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.479 -2.488 0.070 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.165 -2.961 0.053 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.073 -2.085 0.031 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.320 -0.705 0.042 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.470 0.435 0.033 0.00 0.00 -0.327 N ATOM 10 C LIG 1 0.395 1.533 0.025 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.650 1.138 0.050 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.627 -3.463 0.123 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.630 -0.226 0.063 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.905 -2.852 -0.444 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.460 -1.980 0.265 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.034 3.000 -0.018 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.501 3.439 -1.392 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -1.476 4.615 -1.305 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.046 5.620 -0.243 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.973 5.002 1.156 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.836 3.476 1.148 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.991 0.490 1.026 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.645 0.085 0.781 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.918 0.564 0.108 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 -2.919 -0.518 -0.390 0.00 0.00 +0.050 C BRANCH 25 26 ATOM 26 C LIG 1 -3.371 -1.578 0.630 0.00 0.00 -0.039 A ATOM 27 C LIG 1 -4.526 -2.373 0.409 0.00 0.00 -0.047 A ATOM 28 C LIG 1 -5.396 -2.254 -0.817 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -4.897 -3.347 1.357 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -4.179 -3.518 2.535 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.077 -2.716 2.785 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.685 -1.756 1.850 0.00 0.00 +0.004 A ENDBRANCH 25 26 BRANCH 25 33 ATOM 33 C LIG 1 -2.535 -1.074 -1.778 0.00 0.00 +0.130 C BRANCH 33 34 ATOM 34 C LIG 1 -3.294 -0.384 -2.876 0.00 0.00 +0.305 C ATOM 35 O LIG 1 -4.065 -0.907 -3.661 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.029 0.934 -2.949 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -3.545 1.237 -3.727 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8