REMARK Name = BDB035124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.413 0.219 -0.264 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 0.100 0.476 0.365 0.00 0.00 +0.100 C ATOM 3 C LIG 1 -1.007 0.762 -0.671 0.00 0.00 +0.100 C ATOM 4 N LIG 1 -1.303 -0.418 -1.504 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 -0.081 -1.208 -1.768 0.00 0.00 +0.100 C ATOM 6 C LIG 1 1.249 -0.442 -1.577 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.084 -0.110 -2.720 0.00 0.00 +0.101 C ATOM 8 C LIG 1 -3.227 0.942 -2.560 0.00 0.00 +0.165 C ATOM 9 N LIG 1 -4.355 0.475 -1.724 0.00 0.00 -0.277 NA ATOM 10 C LIG 1 -4.673 -0.768 -1.927 0.00 0.00 +0.120 C ATOM 11 C LIG 1 -3.988 -1.706 -2.853 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -2.736 -1.385 -3.208 0.00 0.00 -0.004 C BRANCH 10 13 ATOM 13 C LIG 1 -5.875 -1.333 -1.154 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -6.465 -0.399 -0.332 0.00 0.00 -0.307 N ATOM 15 H LIG 1 -5.950 0.478 -0.265 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.220 -2.497 -1.280 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -7.475 -0.744 0.656 0.00 0.00 +0.076 C ATOM 18 C LIG 1 -8.335 0.470 1.013 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -7.596 1.457 1.921 0.00 0.00 +0.086 C ATOM 20 N LIG 1 -7.006 0.848 3.119 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -8.010 0.514 4.126 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -6.155 -0.297 2.774 0.00 0.00 +0.086 C ATOM 23 C LIG 1 -6.848 -1.355 1.913 0.00 0.00 +0.037 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 2.276 -0.543 0.651 0.00 0.00 +0.121 C BRANCH 24 34 ATOM 25 C LIG 1 8.613 0.562 -0.669 0.00 0.00 +0.077 C ATOM 26 C LIG 1 7.766 1.820 -0.912 0.00 0.00 +0.217 C ATOM 27 O LIG 1 8.226 2.936 -1.127 0.00 0.00 -0.275 OA ATOM 28 N LIG 1 6.410 1.611 -0.956 0.00 0.00 -0.307 N ATOM 29 H LIG 1 5.831 2.425 -1.122 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 5.862 0.315 -0.660 0.00 0.00 +0.121 C ATOM 31 C LIG 1 6.523 -0.208 0.624 0.00 0.00 +0.130 C ATOM 32 N LIG 1 5.912 -1.460 1.109 0.00 0.00 -0.286 NA ATOM 33 C LIG 1 4.624 -1.484 1.000 0.00 0.00 +0.110 C ATOM 34 C LIG 1 3.752 -0.452 0.359 0.00 0.00 -0.018 C ATOM 35 C LIG 1 4.381 0.396 -0.476 0.00 0.00 +0.003 C ATOM 36 C LIG 1 8.027 -0.396 0.396 0.00 0.00 +0.041 C BRANCH 25 38 ATOM 37 C LIG 1 10.421 1.629 0.843 0.00 0.00 +0.004 C ATOM 38 C LIG 1 10.101 0.880 -0.446 0.00 0.00 +0.009 C ENDBRANCH 25 38 ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 6