REMARK Name = BDB031859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.201 -0.498 1.711 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -0.050 0.196 1.659 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -0.857 -0.436 2.595 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -2.180 -0.057 2.850 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -2.730 1.011 2.116 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -1.911 1.669 1.183 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -0.072 -1.417 3.130 0.00 0.00 -0.275 N ATOM 8 H LIG 1 -0.325 -2.085 3.849 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.586 1.278 0.936 0.00 0.00 +0.014 A ATOM 10 N LIG 1 1.165 -1.479 2.618 0.00 0.00 -0.158 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.151 1.472 2.350 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -5.215 1.387 1.274 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -5.024 0.854 -0.118 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.793 1.642 -0.986 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -5.856 1.432 -2.347 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -5.112 0.369 -2.868 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -4.337 -0.450 -2.025 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -6.463 2.625 -0.255 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -7.095 3.312 -0.635 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -4.299 -0.205 -0.644 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -6.185 2.533 1.097 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -6.625 3.231 1.995 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -5.286 0.474 2.464 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -3.578 -1.516 -2.428 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -3.569 -1.817 -3.817 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 2.239 -0.151 0.913 0.00 0.00 -0.293 N ATOM 27 H LIG 1 2.098 0.608 0.251 0.00 0.00 +0.154 HD BRANCH 26 31 ATOM 28 C LIG 1 6.148 -1.532 0.360 0.00 0.00 +0.129 A ATOM 29 N LIG 1 5.684 -0.528 -0.423 0.00 0.00 -0.207 NA ATOM 30 C LIG 1 4.413 -0.124 -0.190 0.00 0.00 +0.237 A ATOM 31 C LIG 1 3.549 -0.661 0.783 0.00 0.00 +0.095 A ATOM 32 C LIG 1 4.072 -1.690 1.562 0.00 0.00 +0.031 A ATOM 33 C LIG 1 5.381 -2.129 1.357 0.00 0.00 +0.035 A BRANCH 28 37 ATOM 34 C LIG 1 7.946 -0.835 -2.052 0.00 0.00 +0.128 C ATOM 35 N LIG 1 8.324 -1.633 -0.913 0.00 0.00 -0.313 N ATOM 36 H LIG 1 9.255 -2.031 -0.896 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 7.559 -2.013 0.167 0.00 0.00 +0.262 C ATOM 38 O LIG 1 8.064 -2.777 0.991 0.00 0.00 -0.269 OA ENDBRANCH 28 37 BRANCH 30 39 ATOM 39 O LIG 1 3.878 0.905 -0.959 0.00 0.00 -0.478 OA ATOM 40 C LIG 1 4.800 1.440 -1.902 0.00 0.00 +0.279 C ENDBRANCH 30 39 ENDBRANCH 26 31 ENDBRANCH 1 26 TORSDOF 6