REMARK Name = BDB022973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.535 -3.273 0.039 0.00 0.00 +0.028 C ATOM 2 C LIG 1 0.389 -2.404 -1.217 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -0.299 -1.137 -0.913 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.696 -1.149 -0.911 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -2.325 -2.135 -1.303 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.477 -0.113 -0.198 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.971 -0.146 -0.420 0.00 0.00 +0.067 A ATOM 8 C LIG 1 2.552 -1.117 -1.209 0.00 0.00 -0.005 A ATOM 9 C LIG 1 3.917 -1.026 -1.345 0.00 0.00 +0.120 A ATOM 10 N LIG 1 4.663 -0.083 -0.743 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 4.024 0.811 0.015 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.697 0.812 0.202 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 1.736 -2.150 -1.913 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -2.428 0.134 -0.491 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.868 -0.179 -0.006 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.799 1.017 -0.290 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.901 1.361 -1.719 0.00 0.00 -0.299 NA ATOM 18 C LIG 1 -3.706 1.006 -2.498 0.00 0.00 +0.085 C ATOM 19 C LIG 1 -2.425 1.121 -1.674 0.00 0.00 +0.029 C BRANCH 15 20 ATOM 20 C LIG 1 -3.854 -0.601 1.459 0.00 0.00 -0.042 A ATOM 21 C LIG 1 -3.901 -1.968 1.778 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -3.862 -2.394 3.106 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.771 -1.461 4.135 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.712 -0.102 3.836 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.749 0.326 2.507 0.00 0.00 +0.004 A ENDBRANCH 15 20 BRANCH 17 26 ATOM 26 C LIG 1 -6.130 0.842 -2.343 0.00 0.00 +0.057 C ATOM 27 C LIG 1 -7.411 1.615 -2.188 0.00 0.00 +0.020 C ATOM 28 C LIG 1 -6.721 1.571 -3.519 0.00 0.00 +0.020 C ENDBRANCH 17 26 ENDBRANCH 4 14 BRANCH 11 29 ATOM 29 N LIG 1 4.702 1.819 0.668 0.00 0.00 -0.310 N ATOM 30 H LIG 1 4.048 2.196 1.345 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 6.061 1.627 1.165 0.00 0.00 +0.077 C ATOM 32 C LIG 1 7.118 1.637 0.062 0.00 0.00 +0.050 C ATOM 33 C LIG 1 8.501 1.484 0.681 0.00 0.00 +0.161 C ATOM 34 O LIG 1 8.574 0.307 1.487 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 7.653 0.329 2.577 0.00 0.00 +0.161 C ATOM 36 C LIG 1 6.217 0.410 2.078 0.00 0.00 +0.050 C ENDBRANCH 29 31 ENDBRANCH 11 29 TORSDOF 5