REMARK Name = BDB056308 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.829 -0.527 0.178 0.00 0.00 +0.204 C ATOM 2 C LIG 1 -2.519 -1.697 -0.549 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -3.930 -1.966 0.038 0.00 0.00 +0.078 C ATOM 4 C LIG 1 -4.597 -3.163 -0.632 0.00 0.00 +0.164 C ATOM 5 O LIG 1 -4.683 -2.964 -2.040 0.00 0.00 -0.379 OA ATOM 6 C LIG 1 -3.397 -2.839 -2.640 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -2.643 -1.630 -2.088 0.00 0.00 +0.078 C ATOM 8 O LIG 1 -1.793 -2.880 -0.176 0.00 0.00 -0.481 OA ATOM 9 C LIG 1 -0.465 -3.053 -0.415 0.00 0.00 +0.143 A ATOM 10 C LIG 1 0.524 -2.148 -0.850 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.804 -2.719 -1.064 0.00 0.00 +0.027 A ATOM 12 C LIG 1 2.105 -4.067 -0.833 0.00 0.00 +0.002 A ATOM 13 C LIG 1 1.123 -4.920 -0.379 0.00 0.00 +0.004 A ATOM 14 N LIG 1 0.354 -0.724 -1.084 0.00 0.00 -0.261 N ATOM 15 C LIG 1 -0.149 -4.411 -0.175 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -0.702 0.078 -0.650 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -0.713 1.296 -0.878 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 -3.533 1.332 0.034 0.00 0.00 +0.230 C ATOM 19 N LIG 1 -2.657 0.550 0.762 0.00 0.00 -0.299 N ATOM 20 H LIG 1 -2.199 1.042 1.519 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -3.838 1.096 -1.131 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.071 2.568 0.807 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.693 2.186 2.150 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -6.307 2.827 -0.209 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.968 3.381 -0.050 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.535 3.407 -0.979 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 14 27 ATOM 27 C LIG 1 1.398 0.029 -1.819 0.00 0.00 +0.171 C BRANCH 27 28 ATOM 28 C LIG 1 2.382 0.697 -0.888 0.00 0.00 +0.089 A ATOM 29 C LIG 1 2.465 2.070 -0.532 0.00 0.00 +0.025 A ATOM 30 C LIG 1 3.539 2.156 0.356 0.00 0.00 +0.075 A ATOM 31 C LIG 1 3.829 3.351 1.041 0.00 0.00 +0.028 A ATOM 32 C LIG 1 3.075 4.488 0.737 0.00 0.00 +0.002 A ATOM 33 C LIG 1 2.050 4.436 -0.199 0.00 0.00 +0.001 A ATOM 34 N LIG 1 4.097 0.886 0.385 0.00 0.00 -0.231 N ATOM 35 C LIG 1 1.730 3.233 -0.835 0.00 0.00 +0.012 A ATOM 36 N LIG 1 3.332 -0.022 -0.273 0.00 0.00 -0.169 NA BRANCH 34 37 ATOM 37 C LIG 1 5.281 0.428 1.031 0.00 0.00 +0.083 A ATOM 38 C LIG 1 6.476 1.165 1.068 0.00 0.00 +0.077 A ATOM 39 C LIG 1 7.580 0.643 1.767 0.00 0.00 +0.021 A ATOM 40 C LIG 1 7.513 -0.606 2.389 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.348 -1.360 2.303 0.00 0.00 +0.002 A ATOM 42 C LIG 1 5.242 -0.854 1.618 0.00 0.00 +0.029 A BRANCH 38 43 ATOM 43 C LIG 1 6.700 2.367 0.314 0.00 0.00 +0.101 C ATOM 44 N LIG 1 6.924 3.337 -0.282 0.00 0.00 -0.191 NA ENDBRANCH 38 43 ENDBRANCH 34 37 ENDBRANCH 27 28 ENDBRANCH 14 27 TORSDOF 7