REMARK Name = BDB025065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.248 1.452 -1.627 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.553 0.354 -1.086 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.156 -1.002 -1.133 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.364 -1.116 -0.185 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.195 -2.151 -0.783 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.833 -1.905 -1.390 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.311 -0.623 -0.811 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.960 -0.478 -0.429 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.045 -1.404 -0.477 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -1.123 -0.828 0.021 0.00 0.00 +0.119 A ATOM 11 N LIG 1 -0.853 0.504 0.321 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.491 0.726 0.075 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.335 1.830 0.227 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.674 1.682 -0.157 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.178 0.483 -0.678 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.834 2.603 -1.709 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.817 1.503 0.780 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.974 2.678 -0.202 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.028 3.670 0.287 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.730 4.164 1.710 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.594 2.988 2.683 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.543 1.980 2.215 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.824 5.103 2.189 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.957 5.146 1.733 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.429 5.899 3.208 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.501 5.774 3.488 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.202 2.163 -2.733 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.472 1.098 -2.124 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.479 -1.504 0.199 0.00 0.00 +0.088 C BRANCH 29 30 ATOM 30 C LIG 1 -2.403 -2.966 0.652 0.00 0.00 -0.037 A ATOM 31 C LIG 1 -3.132 -3.381 1.782 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.100 -4.709 2.213 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.341 -5.648 1.521 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.611 -5.258 0.402 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.643 -3.930 -0.028 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -3.399 -1.250 -1.035 0.00 0.00 -0.002 C ATOM 37 C LIG 1 -2.950 -1.925 -2.334 0.00 0.00 +0.008 C ATOM 38 C LIG 1 -4.858 -1.617 -0.743 0.00 0.00 +0.008 C ENDBRANCH 29 36 ENDBRANCH 10 29 TORSDOF 7