REMARK Name = BDB056207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.892 -1.251 1.862 0.00 0.00 +0.072 C ATOM 2 C LIG 1 0.455 -0.541 1.596 0.00 0.00 +0.034 C ATOM 3 C LIG 1 1.549 -1.015 2.561 0.00 0.00 +0.090 C ATOM 4 C LIG 1 1.705 -2.533 2.526 0.00 0.00 +0.093 C ATOM 5 N LIG 1 0.438 -3.205 2.819 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 0.141 -2.969 3.767 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -0.604 -2.793 1.868 0.00 0.00 +0.099 C ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 -4.346 -0.071 -0.486 0.00 0.00 -0.268 N ATOM 9 C LIG 1 -3.919 -1.400 -0.534 0.00 0.00 +0.234 C ATOM 10 O LIG 1 -4.316 -2.247 -1.334 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 -2.971 -1.802 0.606 0.00 0.00 +0.181 C ATOM 12 N LIG 1 -1.923 -0.792 0.889 0.00 0.00 -0.283 NA ATOM 13 C LIG 1 -2.485 0.589 1.056 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -1.762 1.499 0.034 0.00 0.00 +0.029 C ATOM 15 C LIG 1 -2.342 1.208 2.465 0.00 0.00 +0.029 C ATOM 16 C LIG 1 -4.018 0.662 0.725 0.00 0.00 +0.135 C BRANCH 8 19 ATOM 17 C LIG 1 -4.008 -0.302 -3.475 0.00 0.00 +0.045 C ATOM 18 C LIG 1 -5.199 0.314 -2.790 0.00 0.00 -0.029 A ATOM 19 C LIG 1 -5.322 0.444 -1.391 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -6.435 1.131 -0.872 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -7.433 1.634 -1.709 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -7.332 1.466 -3.083 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.225 0.810 -3.619 0.00 0.00 +0.005 A ENDBRANCH 8 19 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 C LIG 1 2.880 -0.330 2.290 0.00 0.00 +0.218 C ATOM 25 N LIG 1 3.400 -0.505 1.037 0.00 0.00 -0.307 N ATOM 26 H LIG 1 2.946 -1.095 0.347 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 3.447 0.330 3.158 0.00 0.00 -0.275 OA BRANCH 25 28 ATOM 28 C LIG 1 4.680 0.049 0.618 0.00 0.00 +0.122 C BRANCH 28 29 ATOM 29 C LIG 1 5.223 -0.730 -0.575 0.00 0.00 +0.062 A ATOM 30 N LIG 1 4.327 -1.450 -1.313 0.00 0.00 -0.255 NA ATOM 31 C LIG 1 4.811 -2.130 -2.381 0.00 0.00 +0.149 A ATOM 32 C LIG 1 6.144 -2.127 -2.748 0.00 0.00 +0.141 A ATOM 33 F LIG 1 6.561 -2.819 -3.815 0.00 0.00 -0.204 F ATOM 34 C LIG 1 7.047 -1.395 -1.994 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.584 -0.683 -0.888 0.00 0.00 +0.028 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 4.620 1.571 0.358 0.00 0.00 +0.031 C BRANCH 36 37 ATOM 37 C LIG 1 3.876 2.053 -0.909 0.00 0.00 -0.015 C ATOM 38 C LIG 1 2.382 1.733 -0.897 0.00 0.00 +0.007 C ATOM 39 C LIG 1 4.066 3.568 -1.059 0.00 0.00 +0.007 C ENDBRANCH 36 37 ENDBRANCH 28 36 ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 7