REMARK Name = BDB010623 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.140 -1.631 1.239 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -0.093 -1.756 0.617 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -0.626 -3.020 0.419 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.863 -2.959 -0.148 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -2.130 -1.679 -0.270 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.006 -4.161 0.762 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.187 -3.951 1.324 0.00 0.00 +0.202 A ATOM 8 N LIG 1 -1.027 -0.913 0.057 0.00 0.00 -0.308 N ATOM 9 N LIG 1 1.790 -2.765 1.583 0.00 0.00 -0.222 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.960 -5.144 1.736 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.163 -4.974 2.310 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.625 -4.101 2.504 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.640 -6.194 2.585 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.711 -6.443 3.115 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 2.718 -7.124 2.172 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.621 -6.387 1.617 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 19 ATOM 17 C LIG 1 3.508 1.314 1.199 0.00 0.00 +0.023 A ATOM 18 C LIG 1 2.895 0.092 0.880 0.00 0.00 +0.021 A ATOM 19 C LIG 1 1.779 -0.373 1.595 0.00 0.00 +0.003 A ATOM 20 C LIG 1 1.303 0.394 2.670 0.00 0.00 +0.010 A ATOM 21 C LIG 1 1.908 1.605 3.004 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.001 2.064 2.269 0.00 0.00 +0.012 A BRANCH 17 27 ATOM 23 C LIG 1 7.260 4.075 -0.402 0.00 0.00 +0.112 C ATOM 24 C LIG 1 6.225 3.052 -0.178 0.00 0.00 +0.225 A ATOM 25 O LIG 1 6.211 1.996 -1.038 0.00 0.00 -0.338 OA ATOM 26 N LIG 1 5.163 1.172 -0.636 0.00 0.00 -0.056 NA ATOM 27 C LIG 1 4.648 1.806 0.431 0.00 0.00 +0.202 A ATOM 28 N LIG 1 5.287 2.990 0.738 0.00 0.00 -0.192 NA ENDBRANCH 17 27 ENDBRANCH 1 19 BRANCH 5 29 ATOM 29 N LIG 1 -3.294 -1.130 -0.713 0.00 0.00 -0.289 N ATOM 30 C LIG 1 -4.208 -0.419 0.248 0.00 0.00 +0.132 C ATOM 31 C LIG 1 -5.626 -1.052 0.236 0.00 0.00 +0.187 C ATOM 32 O LIG 1 -6.244 -1.024 -1.062 0.00 0.00 -0.376 OA ATOM 33 C LIG 1 -5.317 -1.271 -2.130 0.00 0.00 +0.179 C ATOM 34 C LIG 1 -4.031 -1.977 -1.683 0.00 0.00 +0.136 C BRANCH 30 35 ATOM 35 C LIG 1 -3.692 -0.275 1.677 0.00 0.00 -0.025 A ATOM 36 C LIG 1 -3.378 0.997 2.185 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -2.899 1.148 3.488 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.731 0.032 4.303 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.044 -1.236 3.820 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.526 -1.389 2.519 0.00 0.00 +0.005 A ENDBRANCH 30 35 ENDBRANCH 5 29 BRANCH 8 41 ATOM 41 C LIG 1 -0.855 0.498 -0.241 0.00 0.00 +0.128 C BRANCH 41 42 ATOM 42 C LIG 1 0.057 0.762 -1.457 0.00 0.00 +0.009 C ATOM 43 C LIG 1 0.478 2.245 -1.516 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -0.411 3.062 -2.449 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.364 2.541 -3.897 0.00 0.00 -0.014 C ATOM 46 C LIG 1 0.637 3.330 -4.743 0.00 0.00 +0.007 C ATOM 47 C LIG 1 -0.052 1.037 -3.973 0.00 0.00 +0.003 C ATOM 48 C LIG 1 -0.612 0.294 -2.766 0.00 0.00 +0.005 C ENDBRANCH 41 42 ENDBRANCH 8 41 TORSDOF 7