REMARK Name = BDB029609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.685 2.426 0.521 0.00 0.00 +0.028 A ATOM 2 C LIG 1 2.541 1.795 0.024 0.00 0.00 +0.039 A ATOM 3 C LIG 1 1.358 1.646 0.792 0.00 0.00 +0.080 A ATOM 4 C LIG 1 0.253 0.938 0.063 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -1.081 1.108 0.416 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -1.502 1.890 1.560 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -0.804 1.397 2.809 0.00 0.00 +0.248 C ATOM 8 O LIG 1 0.378 2.138 3.050 0.00 0.00 -0.490 OA ATOM 9 O LIG 1 0.567 0.228 -0.897 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.361 2.141 2.102 0.00 0.00 +0.133 A ATOM 11 C LIG 1 2.522 2.764 2.598 0.00 0.00 +0.048 A ATOM 12 C LIG 1 3.675 2.893 1.825 0.00 0.00 +0.026 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 4.870 2.512 -0.252 0.00 0.00 -0.340 N ATOM 14 H LIG 1 4.598 2.745 -1.206 0.00 0.00 +0.146 HD BRANCH 13 20 ATOM 15 C LIG 1 9.281 -2.214 -1.377 0.00 0.00 +0.109 C ATOM 16 C LIG 1 8.445 -1.995 -0.139 0.00 0.00 +0.212 C ATOM 17 N LIG 1 7.867 -0.754 -0.001 0.00 0.00 -0.301 N ATOM 18 C LIG 1 7.066 -0.442 1.174 0.00 0.00 +0.113 C ATOM 19 C LIG 1 6.599 0.959 0.947 0.00 0.00 +0.033 C ATOM 20 C LIG 1 5.725 1.304 -0.231 0.00 0.00 +0.080 C ATOM 21 C LIG 1 7.224 1.470 -0.305 0.00 0.00 +0.033 C ATOM 22 C LIG 1 8.095 0.396 -0.872 0.00 0.00 +0.113 C ATOM 23 O LIG 1 8.299 -2.892 0.690 0.00 0.00 -0.276 OA ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 5 24 ATOM 24 C LIG 1 -2.112 0.334 -0.298 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -2.709 -0.822 0.523 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -1.657 -1.598 1.110 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -2.063 -2.184 1.767 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -3.607 -1.762 -0.317 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -4.949 -1.213 -0.581 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -5.964 -2.293 -0.561 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -7.360 -1.818 -0.909 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.553 -0.628 -1.632 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.849 -0.211 -1.960 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -9.948 -0.983 -1.594 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.760 -2.174 -0.896 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.367 0.227 -1.995 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -8.474 -2.591 -0.558 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.034 -0.529 -1.889 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 7