REMARK Name = LIG001035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.603 -3.523 0.129 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.085 -2.203 0.127 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.185 -1.359 0.275 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -3.014 0.040 0.266 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.672 0.459 0.124 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.620 -0.447 -0.009 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -4.251 -2.233 0.404 0.00 0.00 -0.253 N ATOM 8 N LIG 1 -0.802 -1.782 0.004 0.00 0.00 -0.242 NA ATOM 9 N LIG 1 -3.919 -3.536 0.292 0.00 0.00 -0.153 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.785 -0.006 -0.170 0.00 0.00 +0.001 A ATOM 11 C LIG 1 1.833 -0.746 0.422 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.143 -0.323 0.263 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.405 -0.908 0.799 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.430 -0.059 0.206 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.879 1.023 -0.466 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.446 1.982 -0.951 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.426 0.821 -0.475 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.443 1.577 -1.077 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.119 1.152 -0.923 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.822 -0.140 0.632 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.088 0.776 1.837 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.242 1.040 2.690 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.387 1.206 1.993 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.567 1.780 2.805 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.484 0.863 1.242 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.612 1.211 1.578 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.238 -0.032 0.051 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.826 0.139 -0.486 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 6 10 BRANCH 7 29 ATOM 29 C LIG 1 -5.651 -1.833 0.615 0.00 0.00 +0.159 C ATOM 30 C LIG 1 -5.947 -1.460 2.072 0.00 0.00 +0.189 C ATOM 31 O LIG 1 -7.151 -2.272 2.054 0.00 0.00 -0.375 OA ATOM 32 C LIG 1 -6.632 -2.981 0.890 0.00 0.00 +0.189 C ENDBRANCH 7 29 BRANCH 1 33 ATOM 33 N LIG 1 -1.859 -4.632 -0.010 0.00 0.00 -0.340 N ATOM 34 H LIG 1 -0.855 -4.564 0.119 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 -2.267 -5.513 0.276 0.00 0.00 +0.144 HD ENDBRANCH 1 33 BRANCH 4 36 ATOM 36 C LIG 1 -4.081 1.108 0.364 0.00 0.00 +0.121 C BRANCH 36 37 ATOM 37 N LIG 1 -4.128 1.955 -0.829 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -4.623 1.264 -2.022 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -4.938 2.408 -2.975 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -5.202 3.613 -2.079 0.00 0.00 +0.017 C ATOM 41 C LIG 1 -5.029 3.097 -0.659 0.00 0.00 +0.085 C ENDBRANCH 36 37 ENDBRANCH 4 36 TORSDOF 6