REMARK Name = BDB053195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.850 -0.087 0.919 0.00 0.00 +0.182 A ATOM 2 N LIG 1 2.261 -1.124 1.630 0.00 0.00 -0.321 N ATOM 3 C LIG 1 2.962 -2.266 1.347 0.00 0.00 +0.042 A ATOM 4 C LIG 1 2.740 -3.643 1.855 0.00 0.00 +0.055 C ATOM 5 C LIG 1 3.551 -4.643 1.003 0.00 0.00 +0.006 C ATOM 6 C LIG 1 4.975 -4.138 0.688 0.00 0.00 +0.007 C ATOM 7 C LIG 1 4.968 -2.803 -0.086 0.00 0.00 +0.057 C ATOM 8 C LIG 1 3.963 -1.877 0.492 0.00 0.00 +0.063 A ATOM 9 N LIG 1 3.889 -0.543 0.228 0.00 0.00 -0.229 NA ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.432 1.311 0.932 0.00 0.00 +0.228 C ATOM 11 O LIG 1 1.675 1.778 1.786 0.00 0.00 -0.283 OA BRANCH 10 16 ATOM 12 C LIG 1 4.312 5.117 -3.037 0.00 0.00 +0.044 C ATOM 13 C LIG 1 3.805 4.130 -2.027 0.00 0.00 -0.050 A ATOM 14 C LIG 1 3.687 2.775 -2.359 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.247 1.845 -1.412 0.00 0.00 +0.012 A ATOM 16 C LIG 1 2.936 2.255 -0.111 0.00 0.00 +0.025 A ATOM 17 C LIG 1 3.051 3.613 0.221 0.00 0.00 +0.012 A ATOM 18 C LIG 1 3.492 4.541 -0.727 0.00 0.00 +0.004 A ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 19 ATOM 19 C LIG 1 1.103 -1.023 2.507 0.00 0.00 +0.151 C BRANCH 19 20 ATOM 20 C LIG 1 -0.227 -0.967 1.803 0.00 0.00 -0.005 C ATOM 21 C LIG 1 -0.486 -1.302 0.527 0.00 0.00 +0.005 C BRANCH 21 22 ATOM 22 C LIG 1 -1.820 -1.199 -0.077 0.00 0.00 -0.022 A ATOM 23 C LIG 1 -2.615 -0.056 0.077 0.00 0.00 +0.053 A ATOM 24 C LIG 1 -3.878 0.026 -0.518 0.00 0.00 +0.123 A ATOM 25 C LIG 1 -4.330 -1.023 -1.316 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.537 -2.159 -1.490 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -2.288 -2.247 -0.874 0.00 0.00 +0.008 A BRANCH 24 28 ATOM 28 O LIG 1 -4.547 1.196 -0.299 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 -5.962 1.188 -0.052 0.00 0.00 +0.200 C ATOM 30 C LIG 1 -6.232 2.586 0.538 0.00 0.00 +0.067 C ATOM 31 C LIG 1 -6.341 0.139 1.010 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 -6.836 1.091 -1.329 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -6.410 1.157 -2.475 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -8.168 0.952 -1.103 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -8.447 0.964 -0.170 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 19 20 ENDBRANCH 2 19 TORSDOF 9