REMARK Name = BDB024444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.288 1.252 0.243 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.253 -0.192 0.729 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.462 -1.285 -0.128 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.427 -2.591 0.364 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.199 -2.824 1.718 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.013 -1.752 2.587 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.046 -0.446 2.097 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.011 1.473 -1.263 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.178 1.113 -1.859 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.153 1.245 -2.863 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.825 2.028 -1.994 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.405 0.597 -1.456 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.183 0.272 -2.509 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.412 -0.249 -2.263 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.937 -0.459 -0.995 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.122 -0.092 0.074 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.849 0.446 -0.156 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.258 -1.028 -0.809 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.046 -0.877 0.315 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.205 -1.557 0.069 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.340 -1.688 0.949 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.234 -2.143 -1.140 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.052 -1.822 -1.672 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.550 1.958 0.632 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.554 2.833 0.100 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.776 1.222 0.281 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 -4.040 2.097 0.462 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -4.220 2.568 1.911 0.00 0.00 +0.014 C BRANCH 27 33 ATOM 29 C LIG 1 -8.681 -0.652 -1.460 0.00 0.00 +0.088 C ATOM 30 C LIG 1 -7.454 0.048 -0.966 0.00 0.00 +0.126 A ATOM 31 N LIG 1 -7.035 1.130 -1.647 0.00 0.00 -0.240 NA ATOM 32 C LIG 1 -5.944 1.757 -1.164 0.00 0.00 +0.118 A ATOM 33 C LIG 1 -5.264 1.362 -0.029 0.00 0.00 -0.007 A ATOM 34 C LIG 1 -5.787 0.243 0.590 0.00 0.00 +0.118 A ATOM 35 N LIG 1 -6.872 -0.424 0.151 0.00 0.00 -0.240 NA ENDBRANCH 27 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8