REMARK Name = BDB052810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.470 -0.413 1.039 0.00 0.00 +0.041 A ATOM 2 N LIG 1 -0.284 -1.016 0.630 0.00 0.00 -0.312 N ATOM 3 C LIG 1 0.541 -0.055 0.041 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -0.120 1.172 0.119 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.522 2.329 -0.372 0.00 0.00 +0.014 A ATOM 6 C LIG 1 1.802 2.229 -0.924 0.00 0.00 +0.046 A ATOM 7 C LIG 1 2.467 1.008 -0.978 0.00 0.00 +0.123 A ATOM 8 C LIG 1 1.850 -0.147 -0.487 0.00 0.00 +0.072 A ATOM 9 C LIG 1 -1.383 0.943 0.734 0.00 0.00 +0.066 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -2.405 1.934 1.044 0.00 0.00 +0.249 C ATOM 11 N LIG 1 -3.142 2.452 -0.016 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -3.067 1.994 -1.409 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -3.516 3.094 -2.387 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -4.877 3.610 -2.156 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 -4.886 4.608 -2.365 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -5.330 3.390 -0.773 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.213 3.403 0.284 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -2.597 2.274 2.209 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 0.063 -2.387 0.782 0.00 0.00 +0.047 A ATOM 20 C LIG 1 0.521 -3.115 -0.323 0.00 0.00 +0.026 A ATOM 21 C LIG 1 0.867 -4.458 -0.171 0.00 0.00 +0.002 A ATOM 22 C LIG 1 0.764 -5.070 1.079 0.00 0.00 +0.000 A ATOM 23 C LIG 1 0.318 -4.341 2.181 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -0.033 -2.998 2.038 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 C LIG 1 -2.655 -1.143 1.625 0.00 0.00 +0.090 C BRANCH 25 28 ATOM 26 C LIG 1 -5.403 -0.065 2.354 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -5.118 -0.695 1.020 0.00 0.00 -0.012 A ATOM 28 C LIG 1 -3.846 -1.205 0.679 0.00 0.00 -0.036 A ATOM 29 C LIG 1 -3.679 -1.832 -0.574 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -4.729 -1.917 -1.489 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -5.969 -1.383 -1.163 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -6.154 -0.785 0.079 0.00 0.00 +0.127 A ATOM 33 F LIG 1 -7.367 -0.289 0.368 0.00 0.00 -0.205 F ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 7 34 ATOM 34 O LIG 1 3.720 1.072 -1.528 0.00 0.00 -0.489 OA BRANCH 34 35 ATOM 35 C LIG 1 4.504 -0.125 -1.514 0.00 0.00 +0.270 C BRANCH 35 36 ATOM 36 C LIG 1 5.871 0.176 -2.131 0.00 0.00 +0.270 C BRANCH 36 37 ATOM 37 O LIG 1 6.666 1.006 -1.280 0.00 0.00 -0.489 OA BRANCH 37 38 ATOM 38 C LIG 1 7.408 0.426 -0.290 0.00 0.00 +0.121 A ATOM 39 C LIG 1 8.155 1.327 0.473 0.00 0.00 +0.045 A ATOM 40 C LIG 1 8.960 0.881 1.522 0.00 0.00 +0.004 A ATOM 41 C LIG 1 9.023 -0.478 1.817 0.00 0.00 +0.000 A ATOM 42 C LIG 1 8.281 -1.385 1.062 0.00 0.00 +0.004 A ATOM 43 C LIG 1 7.474 -0.935 0.011 0.00 0.00 +0.045 A ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 9