REMARK Name = BDB022881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.359 2.202 -0.540 0.00 0.00 +0.216 A ATOM 2 N LIG 1 1.411 1.311 -0.222 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 0.756 0.727 -1.246 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.317 -0.295 -0.950 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -1.478 -0.088 -1.825 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -1.209 0.029 -3.279 0.00 0.00 +0.078 C ATOM 7 C LIG 1 0.281 0.272 -3.641 0.00 0.00 +0.060 C ATOM 8 C LIG 1 -1.714 -1.208 -4.032 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -2.794 0.066 -1.392 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -3.693 0.328 -2.196 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 1.020 1.008 -2.572 0.00 0.00 -0.005 A ATOM 12 C LIG 1 2.017 1.924 -2.793 0.00 0.00 +0.120 A ATOM 13 N LIG 1 2.690 2.531 -1.799 0.00 0.00 -0.223 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -3.093 -0.043 0.108 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.577 -0.424 0.360 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.051 0.157 1.710 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.022 1.629 1.726 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.058 2.139 3.093 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.926 2.209 0.942 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.720 1.282 0.802 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.767 -1.934 0.255 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -5.290 -2.476 -0.930 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.458 -3.854 -1.074 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.100 -4.712 -0.038 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.570 -4.192 1.141 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.400 -2.813 1.286 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 27 ATOM 27 N LIG 1 3.008 2.788 0.536 0.00 0.00 -0.309 N ATOM 28 H LIG 1 2.807 2.192 1.330 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 4.426 3.027 0.329 0.00 0.00 +0.142 C BRANCH 29 33 ATOM 30 N LIG 1 6.540 0.083 0.877 0.00 0.00 -0.269 N ATOM 31 N LIG 1 6.583 0.098 -0.468 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 5.829 1.148 -0.800 0.00 0.00 +0.139 A ATOM 33 C LIG 1 5.306 1.821 0.325 0.00 0.00 +0.007 A ATOM 34 C LIG 1 5.785 1.097 1.399 0.00 0.00 +0.113 A BRANCH 30 36 ATOM 35 C LIG 1 8.324 -0.365 2.526 0.00 0.00 +0.032 C ATOM 36 C LIG 1 7.256 -0.957 1.608 0.00 0.00 +0.101 C ATOM 37 C LIG 1 6.295 -1.861 2.378 0.00 0.00 +0.032 C ENDBRANCH 30 36 ENDBRANCH 29 33 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 6