REMARK Name = BDB058045 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.252 0.188 1.204 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.846 -0.658 1.038 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.953 -0.225 0.300 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -1.987 1.064 -0.252 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -0.878 1.905 -0.066 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.233 1.477 0.667 0.00 0.00 +0.013 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.111 1.566 -1.058 0.00 0.00 +0.058 C ATOM 8 C LIG 1 -4.402 1.227 -0.935 0.00 0.00 +0.176 C ATOM 9 C LIG 1 -5.473 1.812 -1.783 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -5.390 2.632 -2.670 0.00 0.00 -0.283 OA ATOM 11 C LIG 1 -6.678 1.159 -1.284 0.00 0.00 +0.068 A ATOM 12 C LIG 1 -6.291 0.294 -0.263 0.00 0.00 +0.152 A ATOM 13 C LIG 1 -7.232 -0.471 0.403 0.00 0.00 +0.079 A ATOM 14 C LIG 1 -8.578 -0.343 0.010 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -8.951 0.542 -1.023 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -7.991 1.309 -1.686 0.00 0.00 +0.015 A ATOM 17 O LIG 1 -4.937 0.330 -0.023 0.00 0.00 -0.451 OA BRANCH 13 18 ATOM 18 C LIG 1 -6.818 -1.420 1.459 0.00 0.00 +0.245 C ATOM 19 O LIG 1 -5.732 -1.982 1.438 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -7.704 -1.635 2.478 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -8.474 -1.009 2.667 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -7.356 -2.189 3.253 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 4 7 BRANCH 1 27 ATOM 23 N LIG 1 5.337 -0.817 0.298 0.00 0.00 -0.311 N ATOM 24 C LIG 1 5.148 -0.181 1.619 0.00 0.00 +0.125 C ATOM 25 C LIG 1 3.819 -0.628 2.247 0.00 0.00 +0.127 C ATOM 26 N LIG 1 2.668 -0.271 1.412 0.00 0.00 -0.295 N ATOM 27 C LIG 1 1.408 -0.283 1.996 0.00 0.00 +0.247 C ATOM 28 O LIG 1 1.202 -0.659 3.148 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 2.941 -0.093 -0.021 0.00 0.00 +0.127 C ATOM 30 C LIG 1 4.114 -0.959 -0.526 0.00 0.00 +0.125 C BRANCH 23 32 ATOM 31 C LIG 1 7.062 -1.210 -1.407 0.00 0.00 +0.092 A ATOM 32 C LIG 1 6.501 -0.434 -0.379 0.00 0.00 +0.139 A ATOM 33 N LIG 1 7.106 0.716 0.013 0.00 0.00 -0.239 NA ATOM 34 C LIG 1 8.234 1.118 -0.615 0.00 0.00 +0.113 A ATOM 35 C LIG 1 8.828 0.418 -1.644 0.00 0.00 +0.021 A ATOM 36 C LIG 1 8.232 -0.769 -2.043 0.00 0.00 +0.024 A BRANCH 31 38 ATOM 37 N LIG 1 6.063 -3.473 -2.182 0.00 0.00 -0.191 NA ATOM 38 C LIG 1 6.504 -2.465 -1.808 0.00 0.00 +0.103 C ENDBRANCH 31 38 ENDBRANCH 23 32 ENDBRANCH 1 27 TORSDOF 5