REMARK Name = BDB031926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.021 0.332 -0.581 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -0.280 0.806 -0.946 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -0.399 2.049 -0.341 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.540 2.853 -0.451 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -2.631 2.376 -1.202 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -2.509 1.126 -1.834 0.00 0.00 +0.005 A ATOM 7 N LIG 1 0.785 2.236 0.313 0.00 0.00 -0.275 N ATOM 8 H LIG 1 1.062 3.038 0.866 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.359 0.331 -1.714 0.00 0.00 +0.014 A ATOM 10 N LIG 1 1.654 1.222 0.192 0.00 0.00 -0.158 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -3.888 3.199 -1.366 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -5.229 2.740 -0.830 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -5.494 1.461 -0.088 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.750 0.985 -0.492 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -7.314 -0.175 -0.006 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -6.583 -0.897 0.943 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -5.324 -0.444 1.379 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -7.306 1.865 -1.423 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -8.209 1.766 -1.859 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -4.784 0.743 0.863 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -6.472 2.942 -1.666 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -6.677 3.886 -2.410 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -4.525 3.896 -0.180 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -4.531 -1.066 2.306 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -5.001 -2.296 2.840 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 1.477 -0.872 -1.003 0.00 0.00 -0.295 N ATOM 27 H LIG 1 0.866 -1.444 -1.580 0.00 0.00 +0.154 HD BRANCH 26 30 ATOM 28 C LIG 1 4.948 -1.758 0.135 0.00 0.00 +0.014 A ATOM 29 C LIG 1 3.760 -1.040 -0.056 0.00 0.00 +0.038 A ATOM 30 C LIG 1 2.696 -1.565 -0.800 0.00 0.00 +0.075 A ATOM 31 C LIG 1 2.840 -2.849 -1.375 0.00 0.00 +0.141 A ATOM 32 C LIG 1 4.023 -3.571 -1.194 0.00 0.00 +0.048 A ATOM 33 C LIG 1 5.066 -3.025 -0.444 0.00 0.00 +0.015 A BRANCH 28 34 ATOM 34 P LIG 1 6.292 -1.097 1.079 0.00 0.00 +0.116 P ATOM 35 O LIG 1 7.617 -1.790 0.851 0.00 0.00 -0.316 OA BRANCH 34 37 ATOM 36 C LIG 1 6.927 0.986 -0.659 0.00 0.00 +0.012 C ATOM 37 C LIG 1 6.493 0.673 0.761 0.00 0.00 +0.070 C ENDBRANCH 34 37 BRANCH 34 38 ATOM 38 C LIG 1 5.904 -1.183 2.845 0.00 0.00 +0.070 C ATOM 39 C LIG 1 4.607 -0.537 3.288 0.00 0.00 +0.012 C ENDBRANCH 34 38 ENDBRANCH 28 34 BRANCH 31 40 ATOM 40 O LIG 1 1.749 -3.289 -2.092 0.00 0.00 -0.493 OA ATOM 41 C LIG 1 1.861 -4.564 -2.714 0.00 0.00 +0.277 C ENDBRANCH 31 40 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 8