REMARK Name = LIG000615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.067 0.551 1.367 0.00 0.00 +0.104 C ATOM 2 N LIG 1 -4.748 0.207 0.839 0.00 0.00 -0.305 NA ATOM 3 C LIG 1 -4.509 0.903 -0.437 0.00 0.00 +0.089 C ATOM 4 C LIG 1 -3.445 0.302 -1.372 0.00 0.00 +0.051 C ATOM 5 C LIG 1 -2.106 0.045 -0.726 0.00 0.00 -0.042 A ATOM 6 C LIG 1 -1.956 -0.875 0.350 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -0.669 -1.118 0.883 0.00 0.00 +0.017 A ATOM 8 C LIG 1 0.404 -0.435 0.350 0.00 0.00 +0.050 A ATOM 9 C LIG 1 1.825 -0.484 0.688 0.00 0.00 +0.255 C ATOM 10 O LIG 1 2.304 -1.222 1.527 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 2.453 0.418 -0.127 0.00 0.00 -0.222 N ATOM 12 C LIG 1 1.575 0.988 -1.010 0.00 0.00 +0.255 C ATOM 13 O LIG 1 1.798 1.784 -1.901 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 0.252 0.459 -0.685 0.00 0.00 +0.050 A ATOM 15 C LIG 1 -3.098 -1.651 0.984 0.00 0.00 +0.051 C ATOM 16 C LIG 1 -0.980 0.718 -1.248 0.00 0.00 +0.017 A ATOM 17 C LIG 1 -4.561 -1.241 0.734 0.00 0.00 +0.089 C ENDROOT BRANCH 11 18 ATOM 18 C LIG 1 3.893 0.593 -0.226 0.00 0.00 +0.171 C ATOM 19 C LIG 1 4.501 -0.607 -0.960 0.00 0.00 +0.240 C ATOM 20 O LIG 1 3.871 -1.335 -1.725 0.00 0.00 -0.273 OA ATOM 21 N LIG 1 5.852 -0.799 -0.771 0.00 0.00 -0.255 N ATOM 22 H LIG 1 6.259 -1.582 -1.264 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 6.681 -0.147 0.108 0.00 0.00 +0.219 C ATOM 24 O LIG 1 7.862 -0.463 0.217 0.00 0.00 -0.275 OA ATOM 25 C LIG 1 6.081 1.009 0.875 0.00 0.00 +0.098 C ATOM 26 C LIG 1 4.593 0.800 1.115 0.00 0.00 +0.041 C ENDBRANCH 11 18 TORSDOF 1