REMARK Name = BDB048070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.097 -2.226 1.739 0.00 0.00 +0.156 C ATOM 2 C LIG 1 -1.753 -3.696 1.556 0.00 0.00 +0.038 C ENDROOT BRANCH 1 3 ATOM 3 N LIG 1 -2.917 -1.749 0.624 0.00 0.00 -0.303 N ATOM 4 H LIG 1 -2.393 -1.671 -0.238 0.00 0.00 +0.149 HD ATOM 5 C LIG 1 -3.853 -0.756 0.841 0.00 0.00 +0.234 C ATOM 6 O LIG 1 -4.185 -0.426 1.982 0.00 0.00 -0.274 OA BRANCH 5 7 ATOM 7 C LIG 1 -4.574 -0.185 -0.412 0.00 0.00 +0.163 C BRANCH 7 8 ATOM 8 N LIG 1 -5.052 1.160 -0.076 0.00 0.00 -0.300 N ATOM 9 H LIG 1 -5.995 1.228 0.279 0.00 0.00 +0.150 HD ATOM 10 C LIG 1 -4.218 2.251 0.025 0.00 0.00 +0.245 C ATOM 11 O LIG 1 -3.040 2.250 -0.316 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -4.835 3.493 0.559 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -5.783 3.459 1.590 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -6.343 4.650 2.058 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.953 5.872 1.508 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.993 5.910 0.497 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.430 4.723 0.026 0.00 0.00 +0.013 A ENDBRANCH 10 12 ENDBRANCH 7 8 BRANCH 7 18 ATOM 18 C LIG 1 -3.802 -0.281 -1.740 0.00 0.00 +0.067 C BRANCH 18 19 ATOM 19 C LIG 1 -4.584 0.218 -2.937 0.00 0.00 -0.045 A ATOM 20 C LIG 1 -4.321 1.484 -3.475 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.052 1.954 -4.569 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.044 1.161 -5.139 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.311 -0.101 -4.612 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.590 -0.571 -3.514 0.00 0.00 +0.004 A ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 5 7 ENDBRANCH 1 3 BRANCH 1 27 ATOM 25 N LIG 1 -0.115 -1.401 2.956 0.00 0.00 -0.302 N ATOM 26 H LIG 1 -0.265 -2.205 3.555 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 -0.805 -1.386 1.757 0.00 0.00 +0.234 C ATOM 28 O LIG 1 -0.390 -0.795 0.758 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 1.191 -0.766 3.019 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 2.250 -1.655 2.325 0.00 0.00 +0.233 C ATOM 31 N LIG 1 3.304 -0.946 1.772 0.00 0.00 -0.314 N ATOM 32 H LIG 1 3.198 0.057 1.698 0.00 0.00 +0.149 HD ATOM 33 O LIG 1 2.167 -2.879 2.262 0.00 0.00 -0.274 OA BRANCH 31 34 ATOM 34 C LIG 1 4.274 -1.598 0.920 0.00 0.00 +0.104 C BRANCH 34 35 ATOM 35 C LIG 1 3.663 -1.992 -0.429 0.00 0.00 +0.019 C BRANCH 35 36 ATOM 36 C LIG 1 4.690 -2.526 -1.430 0.00 0.00 -0.000 C BRANCH 36 37 ATOM 37 C LIG 1 5.621 -1.469 -2.042 0.00 0.00 -0.018 C BRANCH 37 38 ATOM 38 C LIG 1 4.859 -0.423 -2.862 0.00 0.00 -0.076 C BRANCH 38 39 ATOM 39 N LIG 1 5.772 0.513 -3.676 0.00 0.00 +0.374 N ATOM 40 C LIG 1 6.518 -0.246 -4.770 0.00 0.00 -0.093 C ATOM 41 C LIG 1 6.770 1.242 -2.788 0.00 0.00 -0.093 C ATOM 42 C LIG 1 4.875 1.559 -4.352 0.00 0.00 -0.093 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 29 30 BRANCH 29 43 ATOM 43 C LIG 1 1.607 -0.327 4.433 0.00 0.00 +0.034 C BRANCH 43 45 ATOM 44 C LIG 1 2.124 -2.625 5.458 0.00 0.00 +0.007 C ATOM 45 C LIG 1 1.368 -1.307 5.601 0.00 0.00 -0.015 C ATOM 46 C LIG 1 1.769 -0.630 6.918 0.00 0.00 +0.007 C ENDBRANCH 43 45 ENDBRANCH 29 43 ENDBRANCH 25 29 ENDBRANCH 1 27 TORSDOF 17