REMARK Name = BDB031835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.920 0.024 1.874 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.594 1.394 1.839 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.393 1.783 1.234 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.491 0.880 0.688 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.578 1.683 0.190 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.321 2.986 0.338 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.802 -0.490 0.732 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.832 3.012 1.024 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.205 3.914 1.297 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.002 -0.895 1.334 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.779 -1.320 -2.155 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.692 -0.749 -0.880 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.222 -1.438 0.204 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.290 -1.143 1.677 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.213 -0.457 2.494 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.032 -2.327 2.254 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.321 -3.178 1.203 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.818 -4.047 1.324 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.311 -2.479 3.432 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.523 0.247 2.195 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.854 -2.673 -0.012 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.975 -3.254 -1.255 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.426 -2.559 -2.335 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.417 0.352 -3.152 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.282 -0.768 -3.306 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.647 1.201 -0.484 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.947 1.816 -1.238 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.896 0.839 0.074 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -3.067 0.204 1.299 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -4.379 -0.068 1.619 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -5.436 0.232 0.838 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -5.184 0.832 -0.331 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -3.941 1.138 -0.732 0.00 0.00 -0.195 NA BRANCH 32 34 ATOM 34 N LIG 1 -6.235 1.165 -1.140 0.00 0.00 -0.300 N ATOM 35 C LIG 1 -6.014 1.580 -2.511 0.00 0.00 +0.108 C ATOM 36 C LIG 1 -7.434 1.709 -3.056 0.00 0.00 +0.020 C ATOM 37 C LIG 1 -8.170 0.586 -2.340 0.00 0.00 +0.020 C ATOM 38 C LIG 1 -7.549 0.578 -0.940 0.00 0.00 +0.108 C ENDBRANCH 32 34 BRANCH 29 39 ATOM 39 O LIG 1 -1.989 -0.107 2.067 0.00 0.00 -0.490 OA ATOM 40 C LIG 1 -2.227 -0.632 3.365 0.00 0.00 +0.277 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6