REMARK Name = BDB011376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.987 -0.428 -0.975 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.126 -0.225 0.115 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.148 -0.417 -0.340 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.539 -0.386 0.196 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.282 -0.905 -1.000 0.00 0.00 -0.239 N ATOM 6 C LIG 1 -1.433 -1.076 -2.129 0.00 0.00 +0.255 C ATOM 7 O LIG 1 -1.689 -1.416 -3.272 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.109 -0.789 -1.651 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.215 -0.777 -2.080 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.661 -1.126 -1.135 0.00 0.00 +0.127 A ATOM 11 N LIG 1 -4.579 -1.309 -0.119 0.00 0.00 -0.253 N ATOM 12 C LIG 1 -4.357 -1.605 1.275 0.00 0.00 +0.174 C ATOM 13 N LIG 1 -5.856 -1.377 -0.549 0.00 0.00 -0.175 NA ATOM 14 C LIG 1 -5.759 -1.350 -1.879 0.00 0.00 +0.062 A ATOM 15 C LIG 1 -6.972 -1.443 -2.724 0.00 0.00 +0.067 C ATOM 16 C LIG 1 -4.418 -1.222 -2.290 0.00 0.00 +0.068 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 17 C LIG 1 6.138 -0.002 -0.907 0.00 0.00 +0.321 A ATOM 18 N LIG 1 5.637 -1.083 -0.298 0.00 0.00 -0.159 NA ATOM 19 C LIG 1 4.297 -1.215 -0.334 0.00 0.00 +0.230 A ATOM 20 C LIG 1 3.444 -0.298 -0.931 0.00 0.00 +0.078 A ATOM 21 C LIG 1 4.082 0.768 -1.530 0.00 0.00 +0.131 A ATOM 22 N LIG 1 5.419 0.947 -1.529 0.00 0.00 -0.202 NA BRANCH 17 24 ATOM 23 C LIG 1 8.014 1.228 -1.553 0.00 0.00 +0.280 C ATOM 24 O LIG 1 7.510 0.101 -0.850 0.00 0.00 -0.466 OA ENDBRANCH 17 24 BRANCH 19 25 ATOM 25 O LIG 1 3.719 -2.311 0.288 0.00 0.00 -0.479 OA ATOM 26 C LIG 1 4.670 -3.259 0.761 0.00 0.00 +0.279 C ENDBRANCH 19 25 ENDBRANCH 1 20 BRANCH 4 27 ATOM 27 C LIG 1 -2.003 1.010 0.590 0.00 0.00 -0.021 A ATOM 28 C LIG 1 -2.096 2.048 -0.355 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -2.523 3.326 0.017 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -2.864 3.592 1.345 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -2.776 2.573 2.296 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -2.348 1.295 1.922 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 C LIG 1 -3.299 4.902 1.730 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -3.643 5.963 2.051 0.00 0.00 -0.191 NA ENDBRANCH 30 33 ENDBRANCH 4 27 BRANCH 2 35 ATOM 35 C LIG 1 1.562 0.131 1.467 0.00 0.00 +0.081 C ATOM 36 C LIG 1 0.910 -0.709 2.563 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.444 1.630 1.730 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 7