REMARK Name = BDB010479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.941 0.599 -0.737 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -0.101 -0.311 -0.840 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.198 -1.657 -0.930 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -0.919 -2.403 -1.164 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.924 -1.559 -1.125 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.436 -2.163 -0.862 0.00 0.00 -0.193 NA ATOM 7 C LIG 1 2.393 -1.257 -0.671 0.00 0.00 +0.222 A ATOM 8 N LIG 1 -1.479 -0.267 -0.895 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.180 0.072 -0.622 0.00 0.00 -0.197 NA ENDROOT BRANCH 7 10 ATOM 10 N LIG 1 3.695 -1.697 -0.571 0.00 0.00 -0.298 N ATOM 11 C LIG 1 4.711 -0.804 -0.039 0.00 0.00 +0.115 C ATOM 12 C LIG 1 5.954 -1.713 0.046 0.00 0.00 -0.005 C ATOM 13 C LIG 1 6.618 -1.833 -1.345 0.00 0.00 +0.013 C ATOM 14 C LIG 1 7.002 -1.167 1.020 0.00 0.00 +0.013 C ATOM 15 C LIG 1 5.334 -3.075 0.444 0.00 0.00 +0.122 C ATOM 16 C LIG 1 3.958 -3.093 -0.238 0.00 0.00 +0.123 C BRANCH 15 17 ATOM 17 C LIG 1 5.116 -3.283 1.924 0.00 0.00 +0.310 C ATOM 18 O LIG 1 4.778 -2.458 2.754 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 5.317 -4.565 2.292 0.00 0.00 -0.480 OA ATOM 20 H LIG 1 5.120 -4.569 3.253 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 7 10 BRANCH 5 21 ATOM 21 N LIG 1 -3.214 -1.849 -1.440 0.00 0.00 -0.289 N ATOM 22 C LIG 1 -4.244 -2.040 -0.374 0.00 0.00 +0.132 C ATOM 23 C LIG 1 -5.453 -2.865 -0.910 0.00 0.00 +0.187 C ATOM 24 O LIG 1 -5.861 -2.452 -2.220 0.00 0.00 -0.376 OA ATOM 25 C LIG 1 -4.797 -2.555 -3.180 0.00 0.00 +0.179 C ATOM 26 C LIG 1 -3.394 -2.760 -2.582 0.00 0.00 +0.136 C BRANCH 22 27 ATOM 27 C LIG 1 -3.777 -2.683 0.928 0.00 0.00 -0.025 A ATOM 28 C LIG 1 -4.313 -2.231 2.148 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -3.947 -2.821 3.360 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.050 -3.885 3.372 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -2.527 -4.363 2.173 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.897 -3.775 0.962 0.00 0.00 +0.005 A ENDBRANCH 22 27 ENDBRANCH 5 21 BRANCH 1 33 ATOM 33 N LIG 1 0.766 1.979 -0.762 0.00 0.00 -0.324 N ATOM 34 H LIG 1 0.006 2.261 -1.366 0.00 0.00 +0.148 HD BRANCH 33 36 ATOM 35 C LIG 1 1.575 4.208 -0.340 0.00 0.00 +0.028 C ATOM 36 C LIG 1 1.956 2.826 -0.877 0.00 0.00 +0.072 C BRANCH 36 37 ATOM 37 C LIG 1 2.469 2.864 -2.329 0.00 0.00 +0.009 C ATOM 38 C LIG 1 3.628 3.829 -2.690 0.00 0.00 +0.005 C ATOM 39 C LIG 1 2.607 4.747 -3.384 0.00 0.00 +0.001 C ATOM 40 C LIG 1 1.630 3.560 -3.434 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 1 33 BRANCH 8 41 ATOM 41 C LIG 1 -2.299 0.931 -0.881 0.00 0.00 +0.128 C BRANCH 41 42 ATOM 42 C LIG 1 -2.286 1.724 0.442 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -2.981 0.971 1.580 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -3.006 1.787 2.871 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -3.657 3.159 2.661 0.00 0.00 -0.014 C ATOM 46 C LIG 1 -3.623 3.977 3.950 0.00 0.00 +0.007 C ATOM 47 C LIG 1 -2.969 3.918 1.520 0.00 0.00 +0.003 C ATOM 48 C LIG 1 -2.943 3.098 0.231 0.00 0.00 +0.005 C ENDBRANCH 41 42 ENDBRANCH 8 41 TORSDOF 10