REMARK Name = BDB057488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.289 -0.427 0.503 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.673 1.251 0.985 0.00 0.00 +0.121 A ATOM 3 C LIG 1 0.539 2.057 1.112 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.740 1.517 0.964 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.904 0.155 0.687 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.234 -0.650 0.557 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.515 -0.106 0.705 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 2.861 1.907 1.154 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 4.052 1.120 1.078 0.00 0.00 +0.252 C BRANCH 9 10 ATOM 10 C LIG 1 5.238 2.043 1.318 0.00 0.00 +0.186 C BRANCH 10 13 ATOM 11 C LIG 1 6.772 1.289 3.921 0.00 0.00 +0.088 C ATOM 12 C LIG 1 7.173 0.952 2.537 0.00 0.00 +0.125 A ATOM 13 N LIG 1 6.476 1.308 1.417 0.00 0.00 -0.246 N ATOM 14 N LIG 1 7.072 0.851 0.303 0.00 0.00 -0.149 NA ATOM 15 C LIG 1 8.153 0.224 0.793 0.00 0.00 +0.182 A ATOM 16 N LIG 1 8.234 0.267 2.169 0.00 0.00 -0.212 NA BRANCH 15 17 ATOM 17 C LIG 1 9.152 -0.453 -0.028 0.00 0.00 +0.021 A ATOM 18 C LIG 1 9.044 -0.476 -1.426 0.00 0.00 +0.011 A ATOM 19 C LIG 1 10.005 -1.126 -2.205 0.00 0.00 +0.001 A ATOM 20 C LIG 1 11.085 -1.761 -1.594 0.00 0.00 +0.000 A ATOM 21 C LIG 1 11.206 -1.747 -0.206 0.00 0.00 +0.001 A ATOM 22 C LIG 1 10.245 -1.096 0.573 0.00 0.00 +0.011 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -2.808 -0.274 -0.937 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -2.278 -1.345 -1.894 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -1.677 -2.369 -1.605 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -2.551 -1.065 -3.190 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -2.216 -1.841 -3.685 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -4.286 -0.147 -0.979 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -4.561 0.449 -1.776 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.190 -1.214 -0.895 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -6.542 -1.020 -1.275 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -7.493 -2.048 -1.167 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -7.130 -3.275 -0.625 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.823 -3.471 -0.194 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.872 -2.450 -0.319 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -6.970 0.282 -1.853 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -6.277 0.809 -2.722 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 -8.213 0.956 -1.393 0.00 0.00 +0.022 A ATOM 39 C LIG 1 -8.891 1.790 -2.289 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -10.058 2.444 -1.891 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -10.544 2.276 -0.594 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -9.861 1.460 0.308 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -8.693 0.803 -0.086 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13