REMARK Name = BDB010844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.728 0.136 0.309 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.753 1.099 0.042 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.822 2.341 0.658 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.154 3.181 0.215 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -0.849 2.477 -0.650 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.748 2.685 1.563 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.598 1.690 1.818 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.395 1.178 -0.721 0.00 0.00 -0.323 N ATOM 9 N LIG 1 2.639 0.460 1.248 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.632 1.942 2.847 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.451 0.942 3.211 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.445 -0.002 2.865 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.277 1.431 4.144 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.161 0.811 4.712 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.961 2.750 4.354 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.867 3.047 3.478 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -2.033 3.129 -1.475 0.00 0.00 +0.054 C ATOM 18 C LIG 1 -1.831 3.298 -2.970 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -1.734 4.495 -2.080 0.00 0.00 +0.020 C BRANCH 17 20 ATOM 20 C LIG 1 -3.411 2.935 -0.869 0.00 0.00 -0.031 A ATOM 21 C LIG 1 -3.709 3.443 0.405 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -4.971 3.249 0.946 0.00 0.00 +0.111 A ATOM 23 N LIG 1 -5.962 2.592 0.312 0.00 0.00 -0.263 NA ATOM 24 C LIG 1 -5.678 2.115 -0.915 0.00 0.00 +0.111 A ATOM 25 C LIG 1 -4.443 2.256 -1.532 0.00 0.00 +0.024 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 1.772 -1.087 -0.336 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.376 -1.046 -1.266 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 3.122 -2.573 1.127 0.00 0.00 +0.028 C ATOM 29 C LIG 1 2.920 -1.998 -0.271 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 4.181 -1.417 -0.919 0.00 0.00 +0.009 C ATOM 31 C LIG 1 5.348 -2.403 -1.221 0.00 0.00 +0.005 C ATOM 32 C LIG 1 6.305 -1.207 -1.044 0.00 0.00 +0.001 C ATOM 33 C LIG 1 5.232 -0.579 -0.131 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 -1.038 0.104 -1.454 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 -1.590 -1.034 -0.571 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.019 -2.217 -1.453 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.586 -3.367 -0.622 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.748 -2.907 0.268 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -4.258 -4.061 1.128 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -3.325 -1.722 1.145 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.763 -0.575 0.307 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8