REMARK Name = BDB035859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.840 -1.627 -1.373 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 0.769 -2.592 -1.677 0.00 0.00 +0.089 C ATOM 3 C LIG 1 -0.629 -2.143 -1.212 0.00 0.00 +0.051 C ATOM 4 C LIG 1 -0.905 -0.693 -1.538 0.00 0.00 -0.040 C ATOM 5 C LIG 1 0.108 0.116 -1.906 0.00 0.00 -0.007 C ATOM 6 C LIG 1 1.541 -0.337 -2.015 0.00 0.00 +0.112 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.296 -0.204 -1.440 0.00 0.00 -0.004 A ATOM 8 C LIG 1 -3.154 -0.626 -0.422 0.00 0.00 +0.119 A ATOM 9 N LIG 1 -4.446 -0.236 -0.280 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -4.917 0.632 -1.218 0.00 0.00 +0.126 A ATOM 11 C LIG 1 -4.156 1.110 -2.275 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -2.833 0.682 -2.383 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 -6.345 1.064 -1.063 0.00 0.00 +0.267 C ATOM 14 N LIG 1 -6.961 0.501 0.036 0.00 0.00 -0.278 N ATOM 15 H LIG 1 -6.394 -0.124 0.601 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -6.851 1.840 -1.866 0.00 0.00 -0.268 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.267 0.730 0.408 0.00 0.00 +0.072 A ATOM 18 C LIG 1 -8.864 0.161 1.508 0.00 0.00 +0.131 A ATOM 19 N LIG 1 -10.145 0.634 1.529 0.00 0.00 -0.273 N ATOM 20 C LIG 1 -11.170 0.325 2.496 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -10.425 1.474 0.517 0.00 0.00 -0.178 NA ATOM 22 C LIG 1 -9.276 1.532 -0.167 0.00 0.00 +0.157 A ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 2.067 -1.498 0.075 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 8.184 0.584 0.982 0.00 0.00 +0.019 A ATOM 25 C LIG 1 8.207 -0.558 0.001 0.00 0.00 +0.252 A ATOM 26 O LIG 1 9.255 -0.963 -0.494 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 7.007 -1.135 -0.323 0.00 0.00 -0.321 N ATOM 28 H LIG 1 7.044 -1.898 -0.985 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 5.786 -0.712 0.209 0.00 0.00 +0.068 A ATOM 30 C LIG 1 5.753 0.343 1.117 0.00 0.00 +0.088 A ATOM 31 N LIG 1 4.620 0.814 1.680 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 3.470 0.201 1.313 0.00 0.00 +0.116 A ATOM 33 C LIG 1 3.394 -0.859 0.408 0.00 0.00 -0.013 A ATOM 34 C LIG 1 4.592 -1.325 -0.147 0.00 0.00 +0.034 A ATOM 35 C LIG 1 7.007 0.989 1.493 0.00 0.00 +0.038 A BRANCH 24 37 ATOM 36 C LIG 1 9.562 2.334 2.287 0.00 0.00 +0.009 C ATOM 37 C LIG 1 9.537 1.174 1.297 0.00 0.00 +0.037 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6