REMARK Name = BDB024926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.143 -0.442 0.085 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.082 0.475 -0.019 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.362 1.933 -0.042 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.043 2.351 -1.357 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.130 2.834 0.139 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.180 2.245 1.157 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.752 0.901 0.645 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.419 0.454 0.759 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.337 1.104 1.290 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.693 0.282 1.163 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.301 -0.906 0.572 0.00 0.00 -0.322 N ATOM 12 C LIG 1 1.056 -0.806 0.305 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.986 -1.676 -0.269 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.311 -1.229 -0.372 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.714 0.037 0.077 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.045 -1.663 0.156 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.096 -2.101 0.303 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.401 -2.907 1.580 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.589 -3.866 1.407 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.730 -4.352 -0.038 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.959 -3.196 -1.016 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.353 -1.870 -0.545 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.476 -5.018 2.377 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.104 -5.136 3.416 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.554 -5.933 2.025 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.578 -6.589 2.754 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.474 -0.707 0.284 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.361 0.178 0.147 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.078 0.634 1.641 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -2.976 1.324 0.632 0.00 0.00 -0.011 A ATOM 31 C LIG 1 -2.468 2.021 -0.482 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -3.346 2.635 -1.399 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.152 3.378 -2.595 0.00 0.00 +0.027 A ATOM 34 C LIG 1 -4.392 3.736 -3.073 0.00 0.00 +0.086 A ATOM 35 N LIG 1 -5.332 3.243 -2.207 0.00 0.00 -0.350 N ATOM 36 C LIG 1 -6.760 3.419 -2.354 0.00 0.00 +0.149 C ATOM 37 C LIG 1 -4.722 2.561 -1.175 0.00 0.00 +0.049 A ATOM 38 C LIG 1 -5.257 1.901 -0.061 0.00 0.00 +0.027 A ATOM 39 C LIG 1 -4.365 1.294 0.832 0.00 0.00 +0.008 A ENDBRANCH 29 30 BRANCH 29 40 ATOM 40 O LIG 1 -1.918 1.522 2.751 0.00 0.00 -0.379 OA ATOM 41 H LIG 1 -1.044 1.940 2.612 0.00 0.00 +0.211 HD ENDBRANCH 29 40 ENDBRANCH 10 29 TORSDOF 7