REMARK Name = BDB029593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.315 -0.113 -0.286 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -2.958 0.109 -0.560 0.00 0.00 +0.040 A ATOM 3 C LIG 1 -1.926 -0.704 -0.031 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -0.557 -0.301 -0.464 0.00 0.00 +0.250 C ATOM 5 N LIG 1 0.537 -0.461 0.379 0.00 0.00 -0.292 N ATOM 6 C LIG 1 0.485 -1.295 1.571 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -0.080 -2.662 1.229 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -1.490 -2.704 1.411 0.00 0.00 -0.490 OA ATOM 9 O LIG 1 -0.431 0.207 -1.581 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.277 -1.776 0.794 0.00 0.00 +0.133 A ATOM 11 C LIG 1 -3.635 -1.994 1.077 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.639 -1.175 0.551 0.00 0.00 +0.027 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -5.263 0.779 -0.837 0.00 0.00 -0.314 N ATOM 14 H LIG 1 -5.051 0.961 -1.817 0.00 0.00 +0.152 HD BRANCH 13 20 ATOM 15 C LIG 1 -10.682 1.304 0.648 0.00 0.00 +0.152 C ATOM 16 N LIG 1 -9.299 1.156 0.226 0.00 0.00 -0.318 N ATOM 17 C LIG 1 -9.001 1.120 -1.133 0.00 0.00 +0.253 A ATOM 18 O LIG 1 -9.827 1.192 -2.039 0.00 0.00 -0.268 OA ATOM 19 C LIG 1 -7.561 0.987 -1.481 0.00 0.00 +0.093 A ATOM 20 C LIG 1 -6.611 0.879 -0.535 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -7.022 0.986 0.855 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -8.312 1.110 1.190 0.00 0.00 +0.090 A ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 5 23 ATOM 23 C LIG 1 1.865 -0.113 -0.147 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 2.478 -1.247 -0.986 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 2.957 -2.284 -0.106 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 3.870 -2.002 0.118 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 3.652 -0.788 -1.879 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 4.860 -0.499 -1.069 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 5.037 0.961 -0.895 0.00 0.00 +0.120 C ATOM 30 C LIG 1 6.318 1.329 -0.175 0.00 0.00 -0.030 A ATOM 31 C LIG 1 7.413 0.449 -0.163 0.00 0.00 -0.042 A ATOM 32 C LIG 1 8.602 0.825 0.478 0.00 0.00 +0.004 A ATOM 33 C LIG 1 8.711 2.077 1.081 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.634 2.960 1.053 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.286 -0.919 -0.782 0.00 0.00 +0.051 C ATOM 36 C LIG 1 6.444 2.591 0.425 0.00 0.00 +0.005 A ATOM 37 C LIG 1 6.072 -1.040 -1.715 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 7