REMARK Name = BDB024857 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.500 -2.611 1.847 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.985 -1.498 1.161 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.950 -0.437 0.797 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.897 -0.895 -0.325 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.314 0.896 0.365 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.074 1.188 1.181 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.110 0.063 0.940 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.730 0.287 0.754 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.035 1.470 0.772 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.226 1.163 0.538 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.371 -0.203 0.399 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.870 -0.785 0.539 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.319 -2.108 0.496 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.691 -2.321 0.700 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.587 -1.267 0.938 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.701 -2.830 1.983 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 5.072 -4.504 3.181 0.00 0.00 +0.282 C ATOM 18 O LIG 1 4.554 -3.407 2.426 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.626 -0.926 0.249 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.140 -0.964 -1.181 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.220 -1.819 -1.449 0.00 0.00 -0.298 N ATOM 22 C LIG 1 -4.034 -2.450 -0.413 0.00 0.00 +0.132 C ATOM 23 O LIG 1 -1.639 -0.276 -2.074 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.713 -1.845 -2.836 0.00 0.00 +0.104 C ATOM 25 C LIG 1 -4.656 -0.687 -3.185 0.00 0.00 +0.182 C ATOM 26 O LIG 1 -5.571 -1.163 -4.188 0.00 0.00 -0.378 OA ATOM 27 C LIG 1 -5.233 -2.523 -4.487 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -4.527 -3.054 -3.259 0.00 0.00 +0.053 C ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 -1.357 2.138 0.439 0.00 0.00 +0.096 C BRANCH 29 30 ATOM 30 C LIG 1 -0.930 3.558 0.826 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 N LIG 1 -2.084 4.463 0.912 0.00 0.00 -0.315 N ATOM 32 C LIG 1 -2.509 5.119 -0.246 0.00 0.00 +0.251 A ATOM 33 O LIG 1 -1.979 5.019 -1.348 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -3.709 5.991 -0.095 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -4.324 6.097 1.091 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -3.837 5.370 2.236 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -2.754 4.590 2.121 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7