REMARK Name = LIG000741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.573 1.040 0.247 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -1.435 0.266 0.097 0.00 0.00 +0.093 A ATOM 3 C LIG 1 -0.013 0.607 0.226 0.00 0.00 +0.258 C ATOM 4 N LIG 1 0.693 -0.546 0.006 0.00 0.00 -0.222 N ATOM 5 C LIG 1 -0.133 -1.585 -0.316 0.00 0.00 +0.256 C ATOM 6 O LIG 1 0.165 -2.738 -0.572 0.00 0.00 -0.269 OA ATOM 7 O LIG 1 0.436 1.712 0.464 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -1.503 -1.076 -0.253 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -2.703 -1.740 -0.454 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -3.857 -0.959 -0.347 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -3.798 0.406 0.016 0.00 0.00 +0.048 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 2.143 -0.633 -0.079 0.00 0.00 +0.171 C ATOM 13 C LIG 1 2.613 -0.001 -1.393 0.00 0.00 +0.240 C ATOM 14 O LIG 1 1.908 0.099 -2.396 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 3.932 0.393 -1.428 0.00 0.00 -0.255 N ATOM 16 H LIG 1 4.250 0.794 -2.300 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 4.843 0.388 -0.400 0.00 0.00 +0.219 C ATOM 18 O LIG 1 5.991 0.788 -0.569 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 4.378 -0.197 0.914 0.00 0.00 +0.098 C ATOM 20 C LIG 1 2.881 -0.010 1.104 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 9 21 ATOM 21 N LIG 1 -2.774 -3.040 -0.950 0.00 0.00 -0.357 N ATOM 22 H LIG 1 -3.614 -3.560 -0.720 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 -1.916 -3.583 -0.822 0.00 0.00 +0.142 HD ENDBRANCH 9 21 BRANCH 1 25 ATOM 24 C LIG 1 -3.569 3.160 0.672 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -2.407 2.343 0.602 0.00 0.00 -0.494 OA ENDBRANCH 1 25 TORSDOF 3