REMARK Name = BDB048569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.621 -2.433 0.452 0.00 0.00 +0.066 C ATOM 2 C LIG 1 -5.724 -0.998 0.015 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -4.605 -0.263 -0.392 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -3.228 -0.869 -0.438 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -3.065 -1.733 -1.586 0.00 0.00 -0.307 N ATOM 6 H LIG 1 -3.717 -1.627 -2.354 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -2.253 -2.828 -1.726 0.00 0.00 +0.247 C ATOM 8 C LIG 1 -1.212 -3.095 -0.753 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -0.454 -2.224 0.007 0.00 0.00 +0.121 A ATOM 10 N LIG 1 0.431 -2.990 0.718 0.00 0.00 -0.266 N ATOM 11 C LIG 1 1.447 -2.513 1.647 0.00 0.00 +0.182 C ATOM 12 C LIG 1 2.701 -2.099 0.916 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.930 -0.764 0.545 0.00 0.00 +0.126 A ATOM 14 O LIG 1 1.971 0.138 0.927 0.00 0.00 -0.492 OA ATOM 15 C LIG 1 2.049 1.450 0.366 0.00 0.00 +0.229 C ATOM 16 C LIG 1 0.838 2.241 0.854 0.00 0.00 +0.045 C ATOM 17 C LIG 1 0.775 3.615 0.194 0.00 0.00 +0.030 C ATOM 18 C LIG 1 -0.347 4.455 0.734 0.00 0.00 -0.031 C ATOM 19 C LIG 1 -1.621 4.463 0.310 0.00 0.00 -0.028 C ATOM 20 C LIG 1 -2.221 3.590 -0.756 0.00 0.00 +0.068 C ATOM 21 C LIG 1 -3.380 2.756 -0.208 0.00 0.00 +0.233 C ATOM 22 O LIG 1 -3.799 1.837 -1.230 0.00 0.00 -0.491 OA ATOM 23 C LIG 1 4.093 -0.435 -0.161 0.00 0.00 +0.051 A ATOM 24 C LIG 1 5.035 -1.419 -0.511 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.793 -2.748 -0.150 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.637 -3.084 0.554 0.00 0.00 +0.009 A ATOM 27 N LIG 1 0.282 -4.312 0.497 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 -0.682 -4.366 -0.426 0.00 0.00 +0.147 A ATOM 29 O LIG 1 -2.446 -3.582 -2.678 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -4.835 1.060 -0.780 0.00 0.00 +0.130 A ATOM 31 C LIG 1 -6.122 1.589 -0.791 0.00 0.00 +0.089 A ATOM 32 C LIG 1 -7.161 0.789 -0.363 0.00 0.00 +0.120 A ATOM 33 N LIG 1 -6.980 -0.477 0.039 0.00 0.00 -0.237 NA ENDROOT BRANCH 32 34 ATOM 34 N LIG 1 -8.470 1.258 -0.365 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -8.565 2.120 0.157 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -9.050 0.516 0.020 0.00 0.00 +0.144 HD ENDBRANCH 32 34 BRANCH 24 37 ATOM 37 C LIG 1 6.278 -1.047 -1.282 0.00 0.00 +0.178 C BRANCH 37 38 ATOM 38 N LIG 1 7.156 -0.180 -0.505 0.00 0.00 -0.267 N ATOM 39 N LIG 1 7.161 1.153 -0.724 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 8.082 1.608 0.131 0.00 0.00 +0.134 A ATOM 41 C LIG 1 8.669 0.579 0.887 0.00 0.00 +0.041 A ATOM 42 C LIG 1 8.054 -0.571 0.450 0.00 0.00 +0.108 A ENDBRANCH 37 38 ENDBRANCH 24 37 TORSDOF 3