REMARK Name = BDB059017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.451 -0.835 1.560 0.00 0.00 +0.141 A ATOM 2 C LIG 1 3.016 -0.854 0.270 0.00 0.00 +0.078 A ATOM 3 C LIG 1 2.203 -1.115 -0.838 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.825 -1.345 -0.696 0.00 0.00 +0.034 A ATOM 5 C LIG 1 0.289 -1.350 0.595 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.089 -1.092 1.715 0.00 0.00 +0.049 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 4.402 -0.612 0.170 0.00 0.00 -0.277 N ATOM 8 H LIG 1 4.883 -0.454 1.056 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 5.200 -0.567 -0.953 0.00 0.00 +0.267 C ATOM 10 O LIG 1 4.846 -0.709 -2.118 0.00 0.00 -0.268 OA BRANCH 9 11 ATOM 11 C LIG 1 6.646 -0.313 -0.633 0.00 0.00 +0.126 A ATOM 12 N LIG 1 6.954 -0.162 0.687 0.00 0.00 -0.250 NA ATOM 13 C LIG 1 8.255 0.055 0.979 0.00 0.00 +0.111 A ATOM 14 C LIG 1 9.258 0.129 0.024 0.00 0.00 +0.020 A ATOM 15 C LIG 1 8.914 -0.027 -1.316 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.584 -0.251 -1.657 0.00 0.00 +0.033 A ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 18 ATOM 17 C LIG 1 2.770 -0.460 3.894 0.00 0.00 +0.277 C ATOM 18 O LIG 1 3.323 -0.567 2.589 0.00 0.00 -0.493 OA ENDBRANCH 1 18 BRANCH 4 19 ATOM 19 N LIG 1 0.062 -1.646 -1.842 0.00 0.00 -0.297 N ATOM 20 H LIG 1 0.584 -1.528 -2.706 0.00 0.00 +0.154 HD BRANCH 19 21 ATOM 21 C LIG 1 -1.326 -1.469 -2.075 0.00 0.00 +0.164 A ATOM 22 C LIG 1 -1.863 -1.996 -3.234 0.00 0.00 +0.181 A ATOM 23 F LIG 1 -1.109 -2.623 -4.147 0.00 0.00 -0.200 F ATOM 24 C LIG 1 -3.209 -1.834 -3.419 0.00 0.00 +0.156 A ATOM 25 N LIG 1 -4.002 -1.194 -2.538 0.00 0.00 -0.220 NA ATOM 26 C LIG 1 -3.426 -0.701 -1.426 0.00 0.00 +0.220 A ATOM 27 N LIG 1 -2.110 -0.835 -1.178 0.00 0.00 -0.196 NA BRANCH 26 28 ATOM 28 N LIG 1 -4.225 -0.046 -0.486 0.00 0.00 -0.297 N ATOM 29 C LIG 1 -5.499 0.452 -1.024 0.00 0.00 +0.126 C ATOM 30 C LIG 1 -6.361 1.099 0.093 0.00 0.00 +0.068 C ATOM 31 C LIG 1 -7.623 1.722 -0.502 0.00 0.00 +0.025 C ATOM 32 N LIG 1 -5.633 2.141 0.854 0.00 0.00 -0.308 NA ATOM 33 H LIG 1 -5.353 2.878 0.205 0.00 0.00 +0.123 HD ATOM 34 C LIG 1 -4.410 1.536 1.433 0.00 0.00 +0.068 C ATOM 35 C LIG 1 -3.658 2.610 2.217 0.00 0.00 +0.025 C ATOM 36 C LIG 1 -3.482 0.900 0.362 0.00 0.00 +0.126 C ENDBRANCH 26 28 ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 6