REMARK Name = BDB005724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.259 1.663 -0.333 0.00 0.00 +0.200 A ATOM 2 N LIG 1 0.033 1.109 -0.653 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -0.939 1.782 0.070 0.00 0.00 +0.096 A ATOM 4 C LIG 1 -0.200 2.632 0.893 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -0.833 3.445 1.830 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -2.208 3.339 1.870 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -2.951 2.530 1.071 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -2.337 1.746 0.145 0.00 0.00 +0.099 A ATOM 9 N LIG 1 1.140 2.539 0.633 0.00 0.00 -0.214 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.979 4.148 2.828 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -4.314 4.047 2.843 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -4.884 3.463 2.253 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.755 4.881 3.793 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.921 5.068 4.103 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.668 5.497 4.367 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.510 4.982 3.696 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -3.222 0.964 -0.701 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.406 1.261 -2.058 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.276 0.490 -2.824 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -4.494 0.824 -4.493 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -4.952 -0.553 -2.212 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -4.819 -0.864 -0.901 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -3.972 -0.090 -0.179 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 3.640 1.275 -0.121 0.00 0.00 +0.145 C ATOM 25 N LIG 1 2.403 1.268 -0.946 0.00 0.00 -0.291 N ATOM 26 C LIG 1 2.696 1.902 -2.240 0.00 0.00 +0.109 C ATOM 27 C LIG 1 4.188 1.686 -2.431 0.00 0.00 +0.021 C ATOM 28 C LIG 1 4.721 1.895 -1.026 0.00 0.00 +0.032 C BRANCH 24 33 ATOM 29 C LIG 1 4.719 -3.078 2.340 0.00 0.00 +0.069 C ATOM 30 C LIG 1 4.502 -1.985 1.367 0.00 0.00 +0.081 A ATOM 31 N LIG 1 4.705 -2.197 0.061 0.00 0.00 -0.083 NA ATOM 32 O LIG 1 4.397 -1.002 -0.565 0.00 0.00 -0.357 OA ATOM 33 C LIG 1 4.027 -0.082 0.368 0.00 0.00 +0.158 A ATOM 34 C LIG 1 4.077 -0.661 1.613 0.00 0.00 +0.072 A ENDBRANCH 24 33 ENDBRANCH 1 25 BRANCH 2 35 ATOM 35 C LIG 1 -0.156 -0.042 -1.520 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.472 -1.353 -0.775 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.719 -1.870 0.037 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.364 -3.124 0.842 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.572 -4.104 0.112 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -1.989 -4.068 0.695 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.581 -3.852 -1.397 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.960 -2.419 -1.776 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 6