REMARK Name = BDB010441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.230 -0.675 0.123 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.127 -0.616 0.422 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.671 -1.516 1.325 0.00 0.00 +0.185 A ATOM 4 N LIG 1 2.018 -1.351 1.461 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.323 -0.350 0.673 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.034 -2.447 1.982 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.340 -2.412 1.696 0.00 0.00 +0.205 A ATOM 8 N LIG 1 1.194 0.184 0.080 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -1.946 -1.584 0.811 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.559 0.172 0.431 0.00 0.00 -0.289 N ATOM 11 C LIG 1 4.454 -0.643 -0.460 0.00 0.00 +0.132 C ATOM 12 C LIG 1 5.086 -1.832 0.308 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.846 -1.359 1.438 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.978 -0.660 2.347 0.00 0.00 +0.179 C ATOM 15 C LIG 1 4.301 0.545 1.669 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 3.793 -1.010 -1.784 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.013 -2.169 -1.935 0.00 0.00 +0.005 A ATOM 18 C LIG 1 2.398 -2.462 -3.154 0.00 0.00 +0.000 A ATOM 19 C LIG 1 2.554 -1.605 -4.240 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.320 -0.449 -4.108 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.932 -0.153 -2.889 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 C LIG 1 -2.197 -3.377 2.403 0.00 0.00 +0.241 A ATOM 23 N LIG 1 -3.541 -3.480 2.282 0.00 0.00 -0.127 NA ATOM 24 N LIG 1 -3.783 -4.496 3.123 0.00 0.00 -0.166 N ATOM 25 C LIG 1 -5.112 -4.980 3.376 0.00 0.00 +0.199 C ATOM 26 N LIG 1 -2.717 -5.009 3.750 0.00 0.00 -0.046 NA ATOM 27 N LIG 1 -1.691 -4.305 3.295 0.00 0.00 -0.105 NA ENDBRANCH 7 22 BRANCH 1 28 ATOM 28 N LIG 1 -1.828 0.143 -0.823 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -1.230 0.231 -1.637 0.00 0.00 +0.148 HD BRANCH 28 31 ATOM 30 C LIG 1 -4.190 0.296 -0.052 0.00 0.00 +0.028 C ATOM 31 C LIG 1 -3.239 -0.005 -1.207 0.00 0.00 +0.072 C BRANCH 31 32 ATOM 32 C LIG 1 -3.528 -1.310 -1.958 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -3.969 -2.624 -1.247 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -4.833 -2.919 -2.490 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -4.879 -1.397 -2.728 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 1 28 BRANCH 8 36 ATOM 36 C LIG 1 1.179 1.417 -0.685 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 1.150 2.691 0.181 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.179 2.853 0.936 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -0.227 4.156 1.734 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.039 5.376 0.845 0.00 0.00 -0.014 C ATOM 41 C LIG 1 0.033 6.659 1.675 0.00 0.00 +0.007 C ATOM 42 C LIG 1 1.367 5.221 0.097 0.00 0.00 +0.003 C ATOM 43 C LIG 1 1.413 3.921 -0.703 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 8