REMARK Name = BDB047810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.083 1.212 -0.004 0.00 0.00 +0.075 A ATOM 2 N LIG 1 -2.977 0.204 -0.098 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -2.519 -1.012 -0.445 0.00 0.00 +0.161 A ATOM 4 N LIG 1 -1.226 -1.290 -0.700 0.00 0.00 -0.229 NA ATOM 5 C LIG 1 -0.343 -0.276 -0.582 0.00 0.00 +0.083 A ATOM 6 C LIG 1 -0.737 1.005 -0.243 0.00 0.00 +0.055 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -3.748 5.033 1.139 0.00 0.00 +0.120 A ATOM 8 C LIG 1 -2.628 4.970 0.311 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.083 3.737 -0.068 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -2.641 2.527 0.377 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.776 2.613 1.206 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -4.323 3.846 1.585 0.00 0.00 +0.046 A BRANCH 7 14 ATOM 13 C LIG 1 -5.326 6.410 2.260 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -4.176 6.297 1.431 0.00 0.00 -0.495 OA ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 15 ATOM 15 C LIG 1 -3.498 -2.113 -0.556 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -4.877 -1.891 -0.387 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -5.803 -2.936 -0.493 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -5.383 -4.236 -0.770 0.00 0.00 +0.120 A ATOM 19 C LIG 1 -4.023 -4.482 -0.941 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -3.097 -3.433 -0.836 0.00 0.00 +0.015 A BRANCH 18 21 ATOM 21 O LIG 1 -6.386 -5.160 -0.845 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 -6.005 -6.502 -1.123 0.00 0.00 +0.277 C ENDBRANCH 18 21 ENDBRANCH 3 15 BRANCH 5 23 ATOM 23 C LIG 1 1.106 -0.583 -0.889 0.00 0.00 +0.284 C BRANCH 23 24 ATOM 24 O LIG 1 1.949 0.026 0.090 0.00 0.00 -0.486 OA BRANCH 24 25 ATOM 25 C LIG 1 3.297 -0.140 -0.058 0.00 0.00 +0.122 A ATOM 26 C LIG 1 4.072 0.489 0.919 0.00 0.00 +0.052 A ATOM 27 C LIG 1 5.474 0.410 0.899 0.00 0.00 -0.005 A ATOM 28 C LIG 1 6.271 1.101 1.971 0.00 0.00 +0.047 C ATOM 29 C LIG 1 6.108 -0.317 -0.122 0.00 0.00 +0.124 A ATOM 30 C LIG 1 5.331 -0.946 -1.099 0.00 0.00 +0.049 A ATOM 31 C LIG 1 3.933 -0.858 -1.066 0.00 0.00 +0.049 A BRANCH 29 32 ATOM 32 O LIG 1 7.476 -0.346 -0.069 0.00 0.00 -0.481 OA BRANCH 32 33 ATOM 33 C LIG 1 8.155 -1.081 -1.091 0.00 0.00 +0.349 C BRANCH 33 34 ATOM 34 C LIG 1 9.651 -0.984 -0.842 0.00 0.00 +0.343 C ATOM 35 O LIG 1 10.496 -1.508 -1.553 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 9.969 -0.256 0.257 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 9.143 0.071 0.679 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 11