REMARK Name = LIG001539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.623 -1.145 -0.391 0.00 0.00 +0.117 A ATOM 2 N LIG 1 0.614 0.191 -0.095 0.00 0.00 -0.129 NA ATOM 3 N LIG 1 -0.635 0.553 0.164 0.00 0.00 -0.064 NA ATOM 4 N LIG 1 -1.407 -0.537 0.021 0.00 0.00 -0.239 N ATOM 5 C LIG 1 -0.665 -1.629 -0.322 0.00 0.00 +0.139 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.844 -0.459 0.196 0.00 0.00 +0.195 C ATOM 7 C LIG 1 -3.183 -0.050 1.614 0.00 0.00 +0.244 C ATOM 8 O LIG 1 -3.133 -0.843 2.553 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 -3.558 1.255 1.823 0.00 0.00 -0.255 N ATOM 10 H LIG 1 -3.792 1.502 2.776 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 -3.783 2.233 0.888 0.00 0.00 +0.219 C ATOM 12 O LIG 1 -4.244 3.323 1.214 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -3.412 1.906 -0.538 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -3.557 0.420 -0.833 0.00 0.00 +0.045 C ENDBRANCH 4 6 BRANCH 1 16 ATOM 15 C LIG 1 3.121 -1.243 -0.947 0.00 0.00 +0.137 A ATOM 16 C LIG 1 1.857 -1.866 -0.707 0.00 0.00 +0.052 A ATOM 17 C LIG 1 1.956 -3.240 -0.813 0.00 0.00 +0.059 A ATOM 18 S LIG 1 3.539 -3.758 -1.216 0.00 0.00 -0.101 S ATOM 19 C LIG 1 4.110 -2.148 -1.264 0.00 0.00 +0.091 A BRANCH 15 20 ATOM 20 O LIG 1 3.371 0.087 -0.965 0.00 0.00 -0.491 OA BRANCH 20 22 ATOM 21 C LIG 1 3.882 2.064 0.272 0.00 0.00 +0.048 C ATOM 22 C LIG 1 3.813 0.549 0.316 0.00 0.00 +0.226 C ENDBRANCH 20 22 ENDBRANCH 15 20 ENDBRANCH 1 16 TORSDOF 4