REMARK Name = LIG001859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.519 -0.278 0.314 0.00 0.00 -0.181 N ATOM 2 C LIG 1 0.326 -1.201 0.973 0.00 0.00 +0.353 A ATOM 3 O LIG 1 0.036 -2.377 1.205 0.00 0.00 -0.244 OA ATOM 4 N LIG 1 1.559 -0.702 1.389 0.00 0.00 -0.253 N ATOM 5 C LIG 1 1.919 0.620 1.266 0.00 0.00 +0.288 A ATOM 6 O LIG 1 2.861 1.166 1.826 0.00 0.00 -0.265 OA ATOM 7 C LIG 1 1.024 1.444 0.407 0.00 0.00 +0.210 A ATOM 8 N LIG 1 -0.124 1.005 -0.009 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 14 ATOM 9 C LIG 1 -5.911 -1.400 -1.531 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -4.516 -1.091 -1.064 0.00 0.00 -0.047 A ATOM 11 C LIG 1 -3.869 0.105 -1.411 0.00 0.00 -0.046 A ATOM 12 C LIG 1 -4.538 1.135 -2.280 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -2.559 0.339 -0.947 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -1.859 -0.582 -0.139 0.00 0.00 +0.071 A ATOM 15 C LIG 1 -2.536 -1.759 0.197 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -3.839 -2.011 -0.257 0.00 0.00 +0.006 A ENDBRANCH 1 14 BRANCH 7 17 ATOM 17 C LIG 1 1.416 2.839 -0.011 0.00 0.00 +0.272 C ATOM 18 N LIG 1 0.803 3.908 0.644 0.00 0.00 -0.302 N ATOM 19 C LIG 1 1.026 5.246 0.128 0.00 0.00 +0.132 C ATOM 20 C LIG 1 -0.289 3.745 1.590 0.00 0.00 +0.132 C ATOM 21 O LIG 1 2.232 2.939 -0.920 0.00 0.00 -0.268 OA ENDBRANCH 7 17 BRANCH 4 22 ATOM 22 C LIG 1 2.476 -1.591 2.086 0.00 0.00 +0.165 C BRANCH 22 23 ATOM 23 C LIG 1 3.472 -2.214 1.133 0.00 0.00 -0.028 A ATOM 24 C LIG 1 4.694 -1.580 0.862 0.00 0.00 +0.005 A ATOM 25 C LIG 1 5.599 -2.142 -0.038 0.00 0.00 +0.000 A ATOM 26 C LIG 1 5.292 -3.340 -0.681 0.00 0.00 +0.000 A ATOM 27 C LIG 1 4.079 -3.976 -0.426 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.171 -3.415 0.474 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 4