REMARK Name = BDB058327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.038 1.679 0.428 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.639 0.365 0.562 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.222 -0.615 -0.218 0.00 0.00 +0.258 A ATOM 4 O LIG 1 0.889 -1.800 -0.196 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.300 -0.186 -1.145 0.00 0.00 +0.049 A ATOM 6 C LIG 1 2.600 1.122 -1.171 0.00 0.00 +0.049 A ATOM 7 C LIG 1 3.699 1.713 -2.016 0.00 0.00 +0.066 C ATOM 8 N LIG 1 1.953 2.055 -0.407 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 0.348 2.754 1.268 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 1.014 4.134 1.243 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 2.942 5.553 2.029 0.00 0.00 +0.004 C ATOM 12 C LIG 1 2.306 4.173 2.063 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 -0.404 -0.073 1.493 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 -1.810 0.160 0.975 0.00 0.00 -0.028 A ATOM 15 C LIG 1 -2.251 -0.452 -0.207 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -3.551 -0.243 -0.677 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.450 0.570 0.029 0.00 0.00 -0.017 A ATOM 18 C LIG 1 -4.006 1.180 1.212 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -2.707 0.970 1.685 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 -5.824 0.766 -0.456 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -6.975 0.302 0.221 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -8.254 0.600 -0.284 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -8.405 1.326 -1.464 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.281 1.770 -2.150 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -6.007 1.495 -1.650 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -6.943 -0.501 1.461 0.00 0.00 +0.183 A ATOM 27 N LIG 1 -5.952 -1.360 1.730 0.00 0.00 -0.271 N ATOM 28 H LIG 1 -5.132 -1.584 1.193 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -6.236 -1.927 2.911 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -5.555 -2.760 3.487 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -7.422 -1.413 3.366 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -7.862 -0.483 2.372 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 2.926 -1.286 -1.955 0.00 0.00 +0.163 C BRANCH 33 34 ATOM 34 C LIG 1 3.820 -2.140 -1.079 0.00 0.00 +0.312 C ATOM 35 O LIG 1 4.378 -1.766 -0.056 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 3.964 -3.375 -1.642 0.00 0.00 -0.464 OA BRANCH 36 37 ATOM 37 C LIG 1 4.790 -4.299 -0.915 0.00 0.00 +0.235 C BRANCH 37 38 ATOM 38 C LIG 1 6.266 -4.147 -1.310 0.00 0.00 +0.020 C ATOM 39 C LIG 1 6.469 -4.404 -2.805 0.00 0.00 +0.010 C ATOM 40 C LIG 1 7.134 -5.095 -0.485 0.00 0.00 +0.010 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 12