REMARK Name = BDB031810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.585 0.427 -2.215 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.522 1.325 -1.132 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.352 1.373 -0.366 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.765 0.595 -0.632 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.721 0.958 0.371 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.210 1.863 1.211 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.721 -0.287 -1.728 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.015 2.111 0.733 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.584 2.796 1.215 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.450 -0.352 -2.500 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.226 -1.527 1.106 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.686 -1.286 -0.166 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.419 -0.560 -1.093 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.159 -0.129 -2.509 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.831 0.342 -3.066 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.429 0.585 -2.913 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.271 0.569 -1.815 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.191 0.980 -1.829 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.645 1.078 -4.007 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.407 -1.000 -3.473 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.696 -0.104 -0.736 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.261 -0.325 0.502 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.508 -1.046 1.434 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.869 -2.474 3.261 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.409 -2.247 1.935 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.943 0.376 0.441 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -3.182 -0.288 -0.281 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.126 0.892 1.029 0.00 0.00 +0.131 A ATOM 29 C LIG 1 -5.148 -0.011 1.353 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -6.242 0.579 1.970 0.00 0.00 +0.120 A ATOM 31 N LIG 1 -6.375 1.892 2.233 0.00 0.00 -0.240 NA ATOM 32 C LIG 1 -5.338 2.663 1.878 0.00 0.00 +0.128 A ATOM 33 C LIG 1 -5.441 4.134 2.128 0.00 0.00 +0.088 C ATOM 34 N LIG 1 -4.228 2.214 1.274 0.00 0.00 -0.217 NA BRANCH 29 35 ATOM 35 C LIG 1 -5.061 -1.504 1.120 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -5.145 -2.053 -0.288 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -6.266 -2.301 0.672 0.00 0.00 +0.009 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5