REMARK Name = LIG000955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.714 -0.155 -0.544 0.00 0.00 -0.239 N ATOM 2 N LIG 1 0.211 -0.358 -1.775 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 -1.051 -0.738 -1.636 0.00 0.00 -0.131 NA ATOM 4 C LIG 1 -1.342 -0.792 -0.295 0.00 0.00 +0.116 A ATOM 5 C LIG 1 -0.208 -0.449 0.416 0.00 0.00 +0.137 A ENDROOT BRANCH 1 12 ATOM 6 O LIG 1 5.730 0.473 1.595 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 4.662 0.362 1.004 0.00 0.00 +0.219 C ATOM 8 N LIG 1 3.616 1.214 1.262 0.00 0.00 -0.255 N ATOM 9 H LIG 1 3.780 1.903 1.985 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 2.355 1.210 0.706 0.00 0.00 +0.244 C ATOM 11 O LIG 1 1.521 2.029 1.086 0.00 0.00 -0.273 OA ATOM 12 C LIG 1 2.117 0.196 -0.400 0.00 0.00 +0.195 C ATOM 13 C LIG 1 2.969 -1.053 -0.170 0.00 0.00 +0.045 C ATOM 14 C LIG 1 4.436 -0.665 -0.079 0.00 0.00 +0.099 C ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 C LIG 1 -2.703 -1.190 0.188 0.00 0.00 +0.197 C BRANCH 15 16 ATOM 16 C LIG 1 -3.756 -0.135 -0.074 0.00 0.00 -0.006 A ATOM 17 C LIG 1 -5.039 -0.414 -0.513 0.00 0.00 +0.051 A ATOM 18 S LIG 1 -6.005 0.984 -0.697 0.00 0.00 -0.105 S ATOM 19 C LIG 1 -4.730 1.997 -0.187 0.00 0.00 +0.045 A ATOM 20 C LIG 1 -3.594 1.282 0.120 0.00 0.00 +0.014 A ENDBRANCH 15 16 BRANCH 15 21 ATOM 21 O LIG 1 -2.690 -1.525 1.583 0.00 0.00 -0.381 OA ATOM 22 H LIG 1 -2.727 -0.678 2.058 0.00 0.00 +0.211 HD ENDBRANCH 15 21 ENDBRANCH 4 15 TORSDOF 4