REMARK Name = BDB027467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.144 -0.869 -0.957 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.050 -1.655 -0.557 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.336 -2.743 0.277 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.565 -3.110 0.709 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.615 -2.362 0.307 0.00 0.00 +0.074 A ATOM 6 C LIG 1 -2.434 -1.262 -0.533 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.932 -2.812 0.798 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -4.994 -1.924 1.056 0.00 0.00 +0.135 A ATOM 9 F LIG 1 -4.839 -0.604 0.871 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -6.234 -2.363 1.523 0.00 0.00 +0.080 A ATOM 11 C LIG 1 -6.431 -3.716 1.748 0.00 0.00 +0.161 A ATOM 12 F LIG 1 -7.620 -4.142 2.196 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.405 -4.620 1.514 0.00 0.00 +0.159 A ATOM 14 F LIG 1 -5.597 -5.928 1.733 0.00 0.00 -0.202 F ATOM 15 C LIG 1 -4.169 -4.179 1.047 0.00 0.00 +0.054 A ENDBRANCH 5 7 BRANCH 2 16 ATOM 16 N LIG 1 1.283 -1.446 -0.917 0.00 0.00 -0.327 N ATOM 17 C LIG 1 1.960 -0.375 -0.149 0.00 0.00 +0.129 C ATOM 18 C LIG 1 3.307 0.079 -0.804 0.00 0.00 +0.061 C ATOM 19 C LIG 1 3.990 -1.146 -1.444 0.00 0.00 +0.027 C ATOM 20 C LIG 1 3.115 -1.856 -2.487 0.00 0.00 +0.021 C ATOM 21 C LIG 1 1.618 -1.581 -2.333 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 C LIG 1 4.232 0.793 0.237 0.00 0.00 +0.165 C ATOM 23 O LIG 1 3.549 1.988 0.695 0.00 0.00 -0.370 OA ATOM 24 C LIG 1 3.981 2.425 1.992 0.00 0.00 +0.188 C ATOM 25 C LIG 1 5.434 2.051 2.272 0.00 0.00 +0.188 C ATOM 26 O LIG 1 5.643 0.633 2.254 0.00 0.00 -0.375 OA ATOM 27 C LIG 1 4.695 -0.067 1.429 0.00 0.00 +0.193 C ENDBRANCH 18 22 BRANCH 18 28 ATOM 28 N LIG 1 3.020 1.063 -1.899 0.00 0.00 -0.321 NA ATOM 29 H LIG 1 2.633 1.898 -1.441 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 3.903 1.384 -2.298 0.00 0.00 +0.119 HD ENDBRANCH 18 28 ENDBRANCH 2 16 BRANCH 1 31 ATOM 31 C LIG 1 -0.986 0.331 -1.865 0.00 0.00 +0.161 C BRANCH 31 36 ATOM 32 C LIG 1 -2.770 4.241 0.379 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -2.713 3.224 -0.589 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -3.517 2.917 -1.670 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 -2.956 1.859 -2.215 0.00 0.00 +0.202 A ATOM 36 N LIG 1 -1.851 1.448 -1.517 0.00 0.00 -0.310 N ATOM 37 C LIG 1 -1.668 2.320 -0.479 0.00 0.00 +0.166 A ATOM 38 N LIG 1 -0.697 2.311 0.448 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -0.861 3.321 1.324 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -1.828 4.264 1.349 0.00 0.00 -0.219 NA BRANCH 32 41 ATOM 41 N LIG 1 -3.759 5.218 0.399 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -3.879 5.613 1.322 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -4.593 4.950 -0.112 0.00 0.00 +0.144 HD ENDBRANCH 32 41 ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 7