REMARK Name = BDB026400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.441 2.457 2.022 0.00 0.00 +0.033 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.927 2.585 1.695 0.00 0.00 +0.037 C BRANCH 2 3 ATOM 3 C LIG 1 -4.491 1.317 1.106 0.00 0.00 -0.047 A ATOM 4 C LIG 1 -4.822 0.235 1.929 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -5.335 -0.943 1.381 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -5.534 -1.067 -0.004 0.00 0.00 -0.006 A ATOM 7 C LIG 1 -5.187 0.015 -0.825 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -4.670 1.193 -0.276 0.00 0.00 +0.004 A BRANCH 6 9 ATOM 9 C LIG 1 -6.108 -2.358 -0.560 0.00 0.00 +0.226 C ATOM 10 O LIG 1 -6.072 -2.402 -1.995 0.00 0.00 -0.441 OA ATOM 11 C LIG 1 -7.337 -2.212 -2.475 0.00 0.00 +0.404 C ATOM 12 O LIG 1 -7.601 -2.116 -3.662 0.00 0.00 -0.226 OA ATOM 13 N LIG 1 -8.237 -2.141 -1.433 0.00 0.00 -0.252 N ATOM 14 C LIG 1 -7.580 -2.554 -0.226 0.00 0.00 +0.161 C BRANCH 13 15 ATOM 15 C LIG 1 -9.677 -2.245 -1.663 0.00 0.00 +0.166 C ATOM 16 C LIG 1 -10.164 -3.701 -1.540 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -9.535 -4.670 -1.959 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -11.358 -3.880 -0.892 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -11.674 -4.842 -0.877 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -11.653 -3.224 0.272 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -12.368 -3.741 1.125 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -10.951 -1.908 0.505 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -10.494 -1.280 -0.801 0.00 0.00 +0.041 C ENDBRANCH 13 15 ENDBRANCH 6 9 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 C LIG 1 -1.887 3.758 2.592 0.00 0.00 +0.160 C BRANCH 24 25 ATOM 25 O LIG 1 -0.531 3.563 2.986 0.00 0.00 -0.377 OA BRANCH 25 26 ATOM 26 C LIG 1 0.413 4.355 2.265 0.00 0.00 +0.188 C BRANCH 26 27 ATOM 27 C LIG 1 0.586 3.938 0.798 0.00 0.00 +0.188 C BRANCH 27 28 ATOM 28 O LIG 1 0.838 2.551 0.584 0.00 0.00 -0.375 OA BRANCH 28 29 ATOM 29 C LIG 1 1.951 1.979 1.275 0.00 0.00 +0.188 C BRANCH 29 30 ATOM 30 C LIG 1 3.308 2.604 0.932 0.00 0.00 +0.188 C BRANCH 30 31 ATOM 31 O LIG 1 3.604 2.385 -0.448 0.00 0.00 -0.375 OA BRANCH 31 32 ATOM 32 C LIG 1 4.772 3.062 -0.908 0.00 0.00 +0.188 C BRANCH 32 33 ATOM 33 C LIG 1 6.075 2.619 -0.228 0.00 0.00 +0.188 C BRANCH 33 34 ATOM 34 O LIG 1 6.235 1.206 -0.093 0.00 0.00 -0.376 OA BRANCH 34 35 ATOM 35 C LIG 1 6.270 0.456 -1.312 0.00 0.00 +0.178 C BRANCH 35 36 ATOM 36 C LIG 1 7.580 0.649 -2.082 0.00 0.00 +0.135 C BRANCH 36 38 ATOM 37 C LIG 1 9.107 -1.066 -1.215 0.00 0.00 +0.401 C ATOM 38 N LIG 1 8.730 0.240 -1.302 0.00 0.00 -0.279 N ATOM 39 H LIG 1 9.012 0.808 -0.515 0.00 0.00 +0.152 HD ATOM 40 O LIG 1 8.672 -1.967 -1.914 0.00 0.00 -0.226 OA BRANCH 37 41 ATOM 41 O LIG 1 10.018 -1.188 -0.224 0.00 0.00 -0.445 OA BRANCH 41 43 ATOM 42 C LIG 1 11.366 -3.073 -1.063 0.00 0.00 +0.055 C ATOM 43 C LIG 1 10.577 -2.484 0.112 0.00 0.00 +0.107 C ATOM 44 C LIG 1 11.551 -2.201 1.265 0.00 0.00 +0.055 C ATOM 45 C LIG 1 9.492 -3.445 0.612 0.00 0.00 +0.055 C ENDBRANCH 41 43 ENDBRANCH 37 41 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 20