REMARK Name = BDB012467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.838 -3.490 -2.988 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.658 -2.685 -2.078 0.00 0.00 +0.250 C ATOM 3 C LIG 1 -0.432 -2.908 -1.105 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.495 -1.998 -1.069 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.584 -2.213 -0.214 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -2.570 -3.338 0.623 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -1.510 -4.252 0.575 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.757 -1.261 -0.227 0.00 0.00 +0.182 C ATOM 9 N LIG 1 -3.568 -0.046 0.561 0.00 0.00 -0.222 N ATOM 10 N LIG 1 -2.398 0.676 0.352 0.00 0.00 -0.130 NA ATOM 11 C LIG 1 -2.295 1.798 0.976 0.00 0.00 +0.233 A ATOM 12 C LIG 1 -3.299 2.417 1.838 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -4.428 1.727 2.003 0.00 0.00 +0.077 A ATOM 14 O LIG 1 -1.209 2.602 0.928 0.00 0.00 -0.475 OA ATOM 15 C LIG 1 0.024 2.061 0.411 0.00 0.00 +0.233 C ATOM 16 C LIG 1 0.261 2.553 -1.014 0.00 0.00 +0.074 C ATOM 17 C LIG 1 1.744 2.627 -1.412 0.00 0.00 +0.137 C ATOM 18 C LIG 1 2.415 1.296 -1.802 0.00 0.00 +0.156 C ATOM 19 N LIG 1 2.428 0.270 -0.787 0.00 0.00 -0.309 N ATOM 20 C LIG 1 1.788 -0.950 -0.858 0.00 0.00 +0.203 A ATOM 21 N LIG 1 1.744 -1.513 0.327 0.00 0.00 -0.214 NA ATOM 22 C LIG 1 2.518 -0.734 1.145 0.00 0.00 +0.091 A ATOM 23 C LIG 1 2.856 -0.918 2.492 0.00 0.00 +0.030 A ATOM 24 C LIG 1 3.693 0.018 3.111 0.00 0.00 +0.002 A ATOM 25 C LIG 1 4.184 1.115 2.401 0.00 0.00 +0.002 A ATOM 26 C LIG 1 3.849 1.320 1.057 0.00 0.00 +0.028 A ATOM 27 C LIG 1 3.005 0.376 0.459 0.00 0.00 +0.070 A ATOM 28 C LIG 1 -4.631 0.425 1.327 0.00 0.00 +0.268 A ATOM 29 O LIG 1 -5.709 -0.146 1.473 0.00 0.00 -0.266 OA ATOM 30 C LIG 1 -0.446 -4.049 -0.305 0.00 0.00 +0.013 A ATOM 31 N LIG 1 1.329 -1.484 -2.043 0.00 0.00 -0.252 N ATOM 32 H LIG 1 1.863 -1.282 -2.877 0.00 0.00 +0.158 HD ENDROOT BRANCH 17 33 ATOM 33 O LIG 1 1.818 3.493 -2.558 0.00 0.00 -0.390 OA ATOM 34 H LIG 1 2.733 3.816 -2.638 0.00 0.00 +0.210 HD ENDBRANCH 17 33 TORSDOF 1