REMARK Name = BDB025038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.509 -0.835 1.462 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.830 -0.535 0.268 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.579 -0.008 -0.900 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.481 -1.091 -1.520 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.705 0.559 -2.030 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.520 1.308 -1.467 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.721 0.335 -0.652 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.310 0.321 -0.683 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.459 1.105 -1.413 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -0.764 0.751 -1.073 0.00 0.00 +0.204 A ATOM 11 N LIG 1 -0.733 -0.321 -0.195 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.599 -0.574 0.102 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.237 -1.482 0.950 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.638 -1.453 0.987 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.392 -0.563 0.209 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.003 -1.227 2.508 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.841 -1.117 0.323 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.778 -1.703 -0.747 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -4.194 -1.978 -0.227 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -4.269 -2.386 1.251 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.517 -1.426 2.187 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.606 -0.434 1.460 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.784 -3.814 1.460 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.991 -4.397 0.738 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.301 -4.389 2.571 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.910 -3.817 3.075 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.588 -0.859 2.565 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.853 -0.595 1.369 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -1.927 1.318 -1.532 0.00 0.00 -0.274 N ATOM 30 C LIG 1 -1.744 1.962 -2.852 0.00 0.00 +0.138 C BRANCH 29 31 ATOM 31 C LIG 1 -2.634 2.257 -0.699 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -4.036 2.416 -0.812 0.00 0.00 -0.029 A ATOM 33 C LIG 1 -4.873 1.635 -1.789 0.00 0.00 +0.045 C ATOM 34 C LIG 1 -4.694 3.357 0.002 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.991 4.118 0.934 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.617 3.958 1.061 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -1.946 3.039 0.253 0.00 0.00 +0.024 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6