REMARK Name = LIG001930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.164 0.249 0.406 0.00 0.00 -0.300 N ATOM 2 H LIG 1 1.172 1.237 0.179 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -0.090 -0.309 0.558 0.00 0.00 +0.247 C ATOM 4 O LIG 1 -0.272 -1.334 1.208 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -1.178 0.424 -0.091 0.00 0.00 +0.062 A ATOM 6 C LIG 1 -2.588 0.183 0.062 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -3.267 1.104 -0.737 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -4.664 1.153 -0.823 0.00 0.00 +0.026 A ATOM 9 C LIG 1 -5.394 0.232 -0.068 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -4.751 -0.701 0.741 0.00 0.00 +0.001 A ATOM 11 N LIG 1 -2.318 1.874 -1.362 0.00 0.00 -0.360 N ATOM 12 H LIG 1 -2.526 2.621 -2.011 0.00 0.00 +0.165 HD ATOM 13 C LIG 1 -3.354 -0.735 0.814 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -1.061 1.475 -0.989 0.00 0.00 +0.096 A ENDBRANCH 3 5 BRANCH 1 21 ATOM 15 O LIG 1 5.451 -0.529 -1.492 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.584 -0.551 -0.623 0.00 0.00 +0.219 C ATOM 17 N LIG 1 4.549 0.407 0.357 0.00 0.00 -0.255 N ATOM 18 H LIG 1 5.240 1.136 0.240 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 3.422 0.788 1.037 0.00 0.00 +0.240 C ATOM 20 O LIG 1 3.277 1.957 1.397 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 2.301 -0.249 1.170 0.00 0.00 +0.160 C ATOM 22 C LIG 1 2.786 -1.631 0.730 0.00 0.00 +0.041 C ATOM 23 C LIG 1 3.458 -1.556 -0.631 0.00 0.00 +0.098 C ENDBRANCH 1 21 TORSDOF 2