REMARK Name = BDB059964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.357 -0.704 1.008 0.00 0.00 +0.220 C ATOM 2 N LIG 1 1.976 -0.733 1.123 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.005 0.215 0.536 0.00 0.00 +0.124 C ATOM 4 C LIG 1 -0.224 -0.531 0.033 0.00 0.00 -0.019 A ATOM 5 C LIG 1 -0.781 -1.560 0.817 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.963 -2.201 0.411 0.00 0.00 +0.124 A ATOM 7 C LIG 1 -2.547 -1.843 -0.807 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -1.979 -0.845 -1.602 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.085 -1.890 2.111 0.00 0.00 +0.058 C ATOM 10 C LIG 1 -0.826 -0.188 -1.184 0.00 0.00 +0.006 A ATOM 11 C LIG 1 1.437 -1.826 1.953 0.00 0.00 +0.113 C ATOM 12 O LIG 1 4.045 -1.474 1.694 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.977 -0.045 -1.473 0.00 0.00 +0.109 C ATOM 14 C LIG 1 4.108 0.227 0.043 0.00 0.00 +0.089 C ATOM 15 C LIG 1 4.021 1.712 0.414 0.00 0.00 +0.013 C ATOM 16 C LIG 1 4.917 2.550 -0.492 0.00 0.00 +0.001 C ATOM 17 C LIG 1 4.593 2.373 -1.976 0.00 0.00 +0.001 C ATOM 18 C LIG 1 3.635 1.221 -2.273 0.00 0.00 +0.015 C BRANCH 13 20 ATOM 19 O LIG 1 2.001 -1.085 -2.466 0.00 0.00 -0.251 OA ATOM 20 C LIG 1 3.044 -1.176 -1.843 0.00 0.00 +0.309 C BRANCH 20 21 ATOM 21 O LIG 1 3.500 -2.376 -1.442 0.00 0.00 -0.480 OA ATOM 22 H LIG 1 2.802 -3.008 -1.712 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 1 14 BRANCH 3 23 ATOM 23 C LIG 1 0.617 1.326 1.558 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 N LIG 1 -0.352 2.284 1.051 0.00 0.00 -0.232 N ATOM 25 C LIG 1 -1.638 2.384 1.511 0.00 0.00 +0.254 C ATOM 26 O LIG 1 -2.184 1.774 2.410 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -2.287 3.417 0.706 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -1.354 3.889 -0.199 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -1.657 4.878 -1.114 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -2.958 5.392 -1.089 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.909 4.911 -0.166 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -3.577 3.907 0.750 0.00 0.00 +0.014 A ATOM 33 C LIG 1 -0.112 3.153 0.024 0.00 0.00 +0.254 C ATOM 34 O LIG 1 0.906 3.307 -0.624 0.00 0.00 -0.270 OA ENDBRANCH 23 24 ENDBRANCH 3 23 BRANCH 6 35 ATOM 35 O LIG 1 -2.437 -3.170 1.253 0.00 0.00 -0.492 OA BRANCH 35 36 ATOM 36 C LIG 1 -3.774 -3.645 1.077 0.00 0.00 +0.231 C BRANCH 36 37 ATOM 37 C LIG 1 -3.765 -4.920 0.236 0.00 0.00 +0.069 C BRANCH 37 38 ATOM 38 C LIG 1 -5.168 -5.452 -0.008 0.00 0.00 +0.159 C BRANCH 38 39 ATOM 39 O LIG 1 -5.801 -5.788 1.217 0.00 0.00 -0.395 OA ATOM 40 H LIG 1 -5.301 -6.521 1.616 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 10