REMARK Name = BDB024860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.216 -3.396 -1.379 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.887 -2.594 -0.271 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.937 -2.195 0.705 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.378 -3.395 1.566 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.538 -1.062 1.664 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.687 -0.034 0.954 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.456 -0.733 0.459 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.179 -0.139 0.532 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.821 1.088 1.036 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.515 1.182 0.878 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.016 0.054 0.263 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.067 -0.811 0.039 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.159 -2.077 -0.540 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.434 -2.651 -0.629 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.582 -2.003 -0.150 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.458 -3.732 -2.283 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.937 -4.517 -2.519 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.538 -3.748 -1.391 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.344 -0.137 -0.211 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.361 -0.320 0.891 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.687 -0.254 0.538 0.00 0.00 -0.311 N ATOM 22 H LIG 1 4.309 -0.463 1.320 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.073 -0.510 2.073 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.205 -0.399 -0.820 0.00 0.00 +0.139 C BRANCH 24 25 ATOM 25 C LIG 1 5.703 -0.050 -0.781 0.00 0.00 +0.081 C ATOM 26 C LIG 1 6.459 -0.337 -2.113 0.00 0.00 +0.036 C ATOM 27 C LIG 1 6.847 -1.718 -1.548 0.00 0.00 +0.006 C ATOM 28 C LIG 1 6.615 -1.144 -0.140 0.00 0.00 +0.036 C BRANCH 25 29 ATOM 29 O LIG 1 5.909 1.292 -0.269 0.00 0.00 -0.387 OA ATOM 30 H LIG 1 5.052 1.560 0.136 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.307 2.354 1.301 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 0.470 3.358 0.165 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 1.550 4.309 0.434 0.00 0.00 -0.315 N ATOM 34 C LIG 1 2.861 3.930 0.135 0.00 0.00 +0.251 A ATOM 35 O LIG 1 3.186 2.835 -0.321 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 3.908 4.948 0.415 0.00 0.00 +0.070 A ATOM 37 C LIG 1 3.581 6.116 0.988 0.00 0.00 +0.007 A ATOM 38 C LIG 1 2.211 6.416 1.304 0.00 0.00 +0.018 A ATOM 39 C LIG 1 1.246 5.528 1.024 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 9