REMARK Name = BDB025233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.160 -1.415 1.361 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.908 -1.807 0.854 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.522 -3.240 0.859 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.352 -4.046 -0.157 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.040 -3.513 0.554 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.158 -2.476 1.208 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.548 -1.138 0.653 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.585 -0.161 0.323 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.781 -0.241 0.402 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 1.250 0.906 -0.042 0.00 0.00 +0.111 A ATOM 11 N LIG 1 0.209 1.766 -0.356 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -0.975 1.082 -0.160 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.322 1.404 -0.346 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.274 0.432 -0.009 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.917 -0.827 0.493 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.583 -0.267 1.446 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.359 3.145 -0.820 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.082 3.320 -2.283 0.00 0.00 +0.039 C ATOM 19 C LIG 1 0.140 4.754 -2.788 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.536 5.762 -1.845 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.094 5.597 -0.391 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.309 4.171 0.110 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 1.603 5.111 -2.997 0.00 0.00 +0.308 C ATOM 24 O LIG 1 2.084 6.232 -2.966 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.388 4.057 -3.285 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 3.267 4.457 -3.458 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.163 -2.133 2.369 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -5.890 -2.477 1.818 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.701 1.263 -0.183 0.00 0.00 +0.078 C BRANCH 29 30 ATOM 30 C LIG 1 3.699 0.101 -0.015 0.00 0.00 -0.001 C ATOM 31 C LIG 1 3.686 -0.532 1.392 0.00 0.00 +0.023 C ATOM 32 C LIG 1 3.378 -2.028 1.383 0.00 0.00 +0.108 C ATOM 33 N LIG 1 4.242 -2.756 0.451 0.00 0.00 -0.302 N ATOM 34 C LIG 1 4.765 -4.020 0.677 0.00 0.00 +0.212 C ATOM 35 O LIG 1 5.503 -4.586 -0.133 0.00 0.00 -0.276 OA ATOM 36 C LIG 1 4.403 -4.698 1.973 0.00 0.00 +0.109 C ATOM 37 C LIG 1 4.497 -2.139 -0.847 0.00 0.00 +0.108 C ATOM 38 C LIG 1 3.587 -0.948 -1.132 0.00 0.00 +0.023 C ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6