REMARK Name = BDB026256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.867 -0.687 0.933 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.260 0.284 0.099 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.123 0.285 -0.106 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.941 -0.676 0.510 0.00 0.00 +0.015 A ATOM 5 C LIG 1 1.326 -1.626 1.339 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.059 -2.554 1.975 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.053 -1.642 1.547 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.145 -2.493 -0.714 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.473 -1.531 0.271 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.020 -1.626 1.659 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.964 -2.984 2.205 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.312 -0.621 2.509 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.813 -0.589 3.956 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.760 -0.750 2.474 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.279 -0.660 1.075 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.924 -1.665 0.190 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.406 -0.651 0.295 0.00 0.00 -0.038 C ATOM 18 C LIG 1 4.109 0.682 0.305 0.00 0.00 +0.054 C ATOM 19 C LIG 1 5.616 0.538 0.554 0.00 0.00 +0.112 C ATOM 20 N LIG 1 6.179 -0.490 -0.326 0.00 0.00 -0.305 N ATOM 21 C LIG 1 5.595 -1.829 -0.178 0.00 0.00 +0.134 C ATOM 22 C LIG 1 4.113 -1.774 0.072 0.00 0.00 -0.004 C BRANCH 20 23 ATOM 23 C LIG 1 7.508 -0.468 -0.658 0.00 0.00 +0.162 A ATOM 24 S LIG 1 8.452 0.986 -0.777 0.00 0.00 -0.042 S ATOM 25 C LIG 1 9.821 0.083 -1.240 0.00 0.00 +0.110 A ATOM 26 C LIG 1 9.498 -1.251 -1.287 0.00 0.00 +0.139 A ATOM 27 N LIG 1 8.192 -1.555 -0.961 0.00 0.00 -0.232 NA BRANCH 25 28 ATOM 28 C LIG 1 11.097 0.637 -1.532 0.00 0.00 +0.108 C ATOM 29 N LIG 1 12.144 1.078 -1.769 0.00 0.00 -0.190 NA ENDBRANCH 25 28 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.144 1.222 -0.473 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.109 1.055 -0.192 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.865 2.235 -1.353 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.216 2.521 -1.852 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.078 3.014 -1.742 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -2.499 3.129 -3.136 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -3.578 3.875 -3.442 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -4.335 4.580 -2.378 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.317 5.263 -2.639 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.862 4.414 -1.099 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.375 4.907 -0.377 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.760 3.660 -0.781 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.718 2.377 -4.175 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -2.262 2.536 -5.415 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -1.764 1.040 -3.926 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7