REMARK Name = BDB053380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.830 -1.905 -1.335 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -2.165 -2.037 -1.710 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -2.494 -1.975 -2.904 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -3.288 -2.301 -0.700 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -3.338 -1.405 0.554 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -4.595 -1.731 1.397 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -5.061 -3.182 1.260 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -3.944 -4.073 0.964 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -4.260 -5.043 0.999 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -3.401 -3.797 -0.374 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -3.270 0.095 0.288 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -3.846 0.705 -0.764 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -3.724 2.175 -0.973 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -4.263 2.687 -1.951 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -2.989 2.862 -0.014 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -2.778 4.288 -0.189 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -2.380 2.220 1.047 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -2.508 0.900 1.226 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 -0.293 -2.116 -0.009 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -0.200 -3.474 0.638 0.00 0.00 +0.024 C ATOM 21 C LIG 1 1.050 -2.771 0.233 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 0.109 -1.463 -2.381 0.00 0.00 +0.143 C BRANCH 22 27 ATOM 23 C LIG 1 3.367 0.414 -1.685 0.00 0.00 -0.044 A ATOM 24 C LIG 1 2.879 1.616 -1.149 0.00 0.00 +0.049 A ATOM 25 C LIG 1 1.506 1.834 -1.019 0.00 0.00 +0.121 A ATOM 26 C LIG 1 0.614 0.841 -1.433 0.00 0.00 +0.050 A ATOM 27 C LIG 1 1.077 -0.378 -1.952 0.00 0.00 -0.026 A ATOM 28 C LIG 1 2.459 -0.572 -2.089 0.00 0.00 +0.009 A BRANCH 23 29 ATOM 29 C LIG 1 4.853 0.180 -1.806 0.00 0.00 +0.037 C BRANCH 29 30 ATOM 30 C LIG 1 5.550 -0.039 -0.462 0.00 0.00 +0.033 C BRANCH 30 31 ATOM 31 C LIG 1 5.084 -1.301 0.257 0.00 0.00 +0.160 C BRANCH 31 33 ATOM 32 C LIG 1 5.489 -2.613 2.172 0.00 0.00 +0.193 C ATOM 33 O LIG 1 5.870 -1.456 1.439 0.00 0.00 -0.383 OA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 BRANCH 25 34 ATOM 34 O LIG 1 0.920 2.961 -0.508 0.00 0.00 -0.490 OA BRANCH 34 35 ATOM 35 C LIG 1 1.792 3.971 0.004 0.00 0.00 +0.257 C BRANCH 35 36 ATOM 36 C LIG 1 0.957 5.131 0.555 0.00 0.00 +0.200 C BRANCH 36 37 ATOM 37 O LIG 1 0.138 4.771 1.673 0.00 0.00 -0.380 OA ATOM 38 C LIG 1 0.869 4.589 2.877 0.00 0.00 +0.194 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13