REMARK Name = BDB049213 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.240 -0.783 0.108 0.00 0.00 +0.051 C ATOM 2 C LIG 1 -1.977 -0.817 -1.249 0.00 0.00 +0.079 C ATOM 3 C LIG 1 -3.419 -0.497 -0.802 0.00 0.00 +0.104 C ATOM 4 N LIG 1 -3.260 0.600 0.156 0.00 0.00 -0.293 NA ATOM 5 C LIG 1 -1.969 0.368 0.840 0.00 0.00 +0.094 C ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -4.375 0.815 1.087 0.00 0.00 +0.090 C ATOM 7 C LIG 1 -5.731 1.186 0.526 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -6.284 2.272 1.229 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -7.546 2.777 0.938 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -8.291 2.171 -0.071 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -7.783 1.052 -0.739 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -5.399 2.701 2.352 0.00 0.00 +0.037 C ATOM 13 C LIG 1 -6.518 0.551 -0.422 0.00 0.00 +0.128 A ATOM 14 F LIG 1 -6.128 -0.585 -1.011 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -4.068 2.098 1.919 0.00 0.00 +0.028 C ENDBRANCH 4 6 BRANCH 1 19 ATOM 16 C LIG 1 3.124 -0.364 0.296 0.00 0.00 +0.030 A ATOM 17 C LIG 1 2.323 -0.448 1.443 0.00 0.00 +0.023 A ATOM 18 C LIG 1 0.929 -0.582 1.371 0.00 0.00 +0.006 A ATOM 19 C LIG 1 0.268 -0.632 0.138 0.00 0.00 -0.041 A ATOM 20 C LIG 1 1.054 -0.568 -1.013 0.00 0.00 +0.006 A ATOM 21 C LIG 1 2.450 -0.436 -0.931 0.00 0.00 +0.023 A BRANCH 16 27 ATOM 22 C LIG 1 9.678 -0.612 0.073 0.00 0.00 +0.109 C ATOM 23 C LIG 1 8.754 0.365 0.756 0.00 0.00 +0.213 C ATOM 24 N LIG 1 7.398 0.207 0.532 0.00 0.00 -0.299 N ATOM 25 C LIG 1 6.452 1.091 1.215 0.00 0.00 +0.126 C ATOM 26 C LIG 1 5.123 0.394 1.561 0.00 0.00 +0.124 C ATOM 27 N LIG 1 4.504 -0.239 0.380 0.00 0.00 -0.327 N ATOM 28 C LIG 1 5.369 -0.484 -0.783 0.00 0.00 +0.124 C ATOM 29 C LIG 1 6.814 -0.805 -0.353 0.00 0.00 +0.126 C ATOM 30 O LIG 1 9.210 1.256 1.472 0.00 0.00 -0.276 OA ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 2 31 ATOM 31 N LIG 1 -1.772 -2.015 -2.096 0.00 0.00 -0.304 NA ATOM 32 C LIG 1 -2.458 -1.878 -3.383 0.00 0.00 +0.104 C ATOM 33 C LIG 1 -2.133 -3.282 -1.468 0.00 0.00 +0.104 C ENDBRANCH 2 31 TORSDOF 4