REMARK Name = BDB005926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.041 0.550 -0.735 0.00 0.00 -0.310 N ATOM 2 C LIG 1 0.179 1.862 -0.343 0.00 0.00 +0.096 A ATOM 3 C LIG 1 1.561 1.927 -0.182 0.00 0.00 +0.095 A ATOM 4 C LIG 1 2.177 3.087 0.286 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.333 4.142 0.574 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -0.008 4.101 0.392 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 2.162 0.759 -0.555 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.618 2.985 -0.088 0.00 0.00 +0.100 A ATOM 9 C LIG 1 1.193 -0.060 -0.883 0.00 0.00 +0.200 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 1.854 5.427 1.103 0.00 0.00 +0.201 A ATOM 11 N LIG 1 3.146 5.582 1.439 0.00 0.00 -0.270 N ATOM 12 H LIG 1 3.912 4.934 1.422 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.282 6.838 1.890 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.319 7.335 2.299 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 2.066 7.463 1.818 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.151 6.495 1.298 0.00 0.00 -0.053 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.045 3.095 -0.306 0.00 0.00 +0.039 A ATOM 18 C LIG 1 -2.622 3.091 -1.563 0.00 0.00 +0.124 A ATOM 19 N LIG 1 -3.950 3.166 -1.795 0.00 0.00 -0.243 NA ATOM 20 C LIG 1 -4.722 3.299 -0.705 0.00 0.00 +0.221 A ATOM 21 N LIG 1 -4.287 3.349 0.562 0.00 0.00 -0.243 NA ATOM 22 C LIG 1 -2.948 3.266 0.727 0.00 0.00 +0.124 A ENDBRANCH 8 17 BRANCH 9 23 ATOM 23 N LIG 1 1.325 -1.323 -1.390 0.00 0.00 -0.289 N ATOM 24 C LIG 1 2.446 -2.168 -0.845 0.00 0.00 +0.132 C ATOM 25 C LIG 1 3.730 -1.958 -1.687 0.00 0.00 +0.187 C ATOM 26 O LIG 1 3.580 -2.382 -3.060 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 2.212 -2.428 -3.489 0.00 0.00 +0.179 C ATOM 28 C LIG 1 1.354 -1.303 -2.891 0.00 0.00 +0.136 C BRANCH 24 29 ATOM 29 C LIG 1 2.633 -2.113 0.667 0.00 0.00 -0.025 A ATOM 30 C LIG 1 3.545 -1.242 1.285 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.702 -1.232 2.673 0.00 0.00 +0.000 A ATOM 32 C LIG 1 2.953 -2.096 3.468 0.00 0.00 +0.000 A ATOM 33 C LIG 1 2.046 -2.970 2.876 0.00 0.00 +0.000 A ATOM 34 C LIG 1 1.889 -2.979 1.488 0.00 0.00 +0.005 A ENDBRANCH 24 29 ENDBRANCH 9 23 BRANCH 1 35 ATOM 35 C LIG 1 -1.329 -0.094 -0.949 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 -3.534 -4.462 -0.365 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.020 -3.023 -0.365 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -1.722 -2.906 0.451 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.551 -1.552 1.143 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -2.125 -0.376 0.346 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -3.623 -0.598 0.043 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -4.085 -2.054 0.147 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6