REMARK Name = BDB031770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.722 1.863 -1.444 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.805 1.252 -2.321 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.561 0.851 -1.819 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.176 1.037 -0.498 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.147 0.494 -0.412 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.533 -0.005 -1.591 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.079 1.663 0.379 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.504 0.237 -2.412 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.589 -0.052 -3.379 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.331 2.070 -0.110 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.155 -1.345 0.942 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.767 -0.509 -0.116 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.491 0.645 -0.375 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.369 1.734 -1.403 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.077 2.326 -1.928 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.541 2.644 -1.113 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.206 2.114 -0.022 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.035 2.536 0.368 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.825 3.652 -1.738 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.934 1.441 -2.811 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.606 0.935 0.424 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.018 0.138 1.470 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.274 -1.018 1.730 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.690 -3.333 2.169 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.363 -2.450 1.104 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.837 0.494 0.752 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.421 0.925 1.568 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.211 0.245 0.996 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -3.618 0.118 2.322 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -4.950 -0.173 2.496 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -5.824 -0.336 1.484 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -5.358 -0.197 0.232 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -4.078 0.096 -0.022 0.00 0.00 -0.195 NA BRANCH 32 34 ATOM 34 N LIG 1 -6.250 -0.343 -0.826 0.00 0.00 -0.295 N ATOM 35 C LIG 1 -7.352 -1.275 -0.546 0.00 0.00 +0.136 C ATOM 36 C LIG 1 -8.012 -1.727 -1.857 0.00 0.00 +0.179 C ATOM 37 O LIG 1 -7.103 -2.402 -2.745 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -5.753 -1.903 -2.665 0.00 0.00 +0.179 C ATOM 39 C LIG 1 -5.668 -0.450 -2.175 0.00 0.00 +0.136 C ENDBRANCH 32 34 BRANCH 29 40 ATOM 40 O LIG 1 -2.681 0.307 3.300 0.00 0.00 -0.490 OA ATOM 41 C LIG 1 -3.112 0.099 4.640 0.00 0.00 +0.277 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6