REMARK Name = LIG001852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.399 -0.058 0.888 0.00 0.00 +0.265 C ATOM 2 N LIG 1 1.158 0.101 -0.265 0.00 0.00 -0.203 N ATOM 3 H LIG 1 0.712 0.467 -1.101 0.00 0.00 +0.178 HD ATOM 4 O LIG 1 0.745 -0.584 1.938 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 12 ATOM 5 C LIG 1 -6.157 0.340 -2.651 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -5.254 0.720 -1.516 0.00 0.00 -0.050 A ATOM 7 C LIG 1 -3.956 0.203 -1.434 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -3.096 0.582 -0.386 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.530 1.495 0.596 0.00 0.00 +0.071 A ATOM 10 N LIG 1 -2.745 1.879 1.618 0.00 0.00 -0.251 NA ATOM 11 C LIG 1 -1.486 1.371 1.716 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -0.976 0.478 0.777 0.00 0.00 +0.060 A ATOM 13 C LIG 1 -0.683 1.844 2.893 0.00 0.00 +0.066 C ATOM 14 C LIG 1 -4.814 2.008 0.490 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.796 0.073 -0.280 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -5.673 1.637 -0.551 0.00 0.00 +0.005 A ENDBRANCH 1 12 BRANCH 2 17 ATOM 17 N LIG 1 2.403 -0.415 -0.506 0.00 0.00 -0.187 NA ATOM 18 C LIG 1 3.191 -0.661 0.492 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 C LIG 1 4.525 -1.265 0.288 0.00 0.00 -0.004 A ATOM 20 C LIG 1 4.980 -1.584 -0.994 0.00 0.00 +0.029 A ATOM 21 C LIG 1 6.243 -2.151 -1.147 0.00 0.00 +0.042 A ATOM 22 CL LIG 1 6.816 -2.548 -2.721 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 7.050 -2.401 -0.036 0.00 0.00 +0.020 A ATOM 24 C LIG 1 6.591 -2.083 1.243 0.00 0.00 +0.002 A ATOM 25 C LIG 1 5.327 -1.514 1.407 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 2 17 TORSDOF 3