REMARK Name = LIG000069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.617 -0.090 -2.608 0.00 0.00 -0.027 A ATOM 2 C LIG 1 2.671 0.290 -1.766 0.00 0.00 +0.021 A ATOM 3 C LIG 1 3.462 -0.687 -1.145 0.00 0.00 +0.068 A ATOM 4 C LIG 1 3.235 -2.040 -1.329 0.00 0.00 +0.100 A ATOM 5 N LIG 1 4.011 -3.029 -0.716 0.00 0.00 -0.131 NA ATOM 6 N LIG 1 4.975 -2.705 0.009 0.00 0.00 -0.061 NA ATOM 7 N LIG 1 5.292 -1.396 0.242 0.00 0.00 -0.198 N ATOM 8 C LIG 1 2.175 -2.422 -2.154 0.00 0.00 +0.031 A ATOM 9 C LIG 1 4.567 -0.332 -0.261 0.00 0.00 +0.278 A ATOM 10 O LIG 1 4.797 0.849 -0.012 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 1.372 -1.462 -2.782 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 6.428 -1.170 1.133 0.00 0.00 +0.199 C ATOM 13 C LIG 1 7.537 -0.402 0.405 0.00 0.00 +0.244 C ATOM 14 O LIG 1 7.749 -0.485 -0.803 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.383 0.333 1.206 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.123 0.828 0.726 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.365 0.454 2.573 0.00 0.00 +0.219 C ATOM 18 O LIG 1 9.224 1.101 3.164 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 7.290 -0.315 3.305 0.00 0.00 +0.099 C ATOM 20 C LIG 1 6.048 -0.487 2.446 0.00 0.00 +0.046 C ENDBRANCH 7 12 BRANCH 1 22 ATOM 21 C LIG 1 1.484 2.072 -3.943 0.00 0.00 +0.033 C ATOM 22 C LIG 1 0.712 0.925 -3.288 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 N LIG 1 -0.248 1.456 -2.330 0.00 0.00 -0.293 N ATOM 24 H LIG 1 0.152 1.909 -1.522 0.00 0.00 +0.151 HD ATOM 25 C LIG 1 -1.438 0.794 -2.093 0.00 0.00 +0.304 C ATOM 26 N LIG 1 -2.149 1.424 -1.093 0.00 0.00 -0.269 N ATOM 27 H LIG 1 -1.825 2.349 -0.854 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 -1.783 -0.196 -2.724 0.00 0.00 -0.252 OA BRANCH 26 29 ATOM 29 C LIG 1 -3.363 1.010 -0.512 0.00 0.00 +0.036 A ATOM 30 C LIG 1 -3.983 1.879 0.384 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -5.195 1.541 1.017 0.00 0.00 +0.046 A ATOM 32 CL LIG 1 -5.798 2.759 2.090 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -5.835 0.304 0.774 0.00 0.00 -0.024 A ATOM 34 C LIG 1 -5.176 -0.554 -0.134 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -3.968 -0.213 -0.761 0.00 0.00 +0.024 A BRANCH 33 36 ATOM 36 C LIG 1 -7.168 -0.142 1.427 0.00 0.00 -0.011 C ATOM 37 C LIG 1 -7.640 -1.552 0.972 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -8.319 0.816 1.045 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -7.029 -0.233 2.962 0.00 0.00 +0.015 C ENDBRANCH 33 36 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 5