REMARK Name = BDB009932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.032 -2.097 -0.592 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.643 -2.023 -0.705 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.005 -2.659 -1.750 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.352 -2.474 -1.701 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.575 -1.723 -0.638 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -0.611 -3.381 -2.699 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.941 -3.421 -2.508 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.384 -1.452 0.018 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.658 -2.833 -1.529 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.904 -1.308 -0.187 0.00 0.00 +0.019 A ATOM 11 C LIG 1 3.237 0.052 -0.047 0.00 0.00 +0.034 A ATOM 12 C LIG 1 4.496 0.483 0.415 0.00 0.00 +0.030 A ATOM 13 C LIG 1 5.414 -0.535 0.731 0.00 0.00 +0.023 A ATOM 14 C LIG 1 5.113 -1.892 0.566 0.00 0.00 +0.002 A ATOM 15 C LIG 1 3.863 -2.278 0.101 0.00 0.00 +0.011 A BRANCH 12 16 ATOM 16 N LIG 1 4.797 1.841 0.593 0.00 0.00 -0.336 N ATOM 17 C LIG 1 6.196 2.233 0.769 0.00 0.00 +0.129 C ATOM 18 C LIG 1 3.945 2.845 -0.045 0.00 0.00 +0.129 C ENDBRANCH 12 16 ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 -2.743 -1.463 0.414 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -2.317 -0.592 0.703 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 -4.934 -2.672 0.446 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -4.203 -1.335 0.372 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 -4.638 -0.490 -0.795 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -4.365 0.996 -0.814 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.774 0.495 -0.654 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 26 ATOM 26 C LIG 1 -2.695 -4.216 -3.540 0.00 0.00 +0.375 C ATOM 27 O LIG 1 -3.903 -4.376 -3.581 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 -1.842 -4.751 -4.460 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 -0.913 -4.498 -4.246 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 7 26 BRANCH 8 30 ATOM 30 C LIG 1 0.268 -0.824 1.329 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 0.096 0.681 1.288 0.00 0.00 -0.028 A ATOM 32 C LIG 1 0.499 1.423 2.410 0.00 0.00 +0.006 A ATOM 33 C LIG 1 0.355 2.812 2.445 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -0.212 3.497 1.364 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -0.624 2.762 0.245 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.478 1.371 0.209 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -0.334 5.001 1.384 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -1.399 5.459 0.668 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.482 5.511 2.638 0.00 0.00 -0.166 F ATOM 40 F LIG 1 0.762 5.611 0.856 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 10