REMARK Name = LIG001164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.693 -2.029 -1.236 0.00 0.00 +0.224 C ATOM 2 N LIG 1 1.216 -0.853 -0.744 0.00 0.00 -0.256 N ATOM 3 H LIG 1 0.768 0.040 -0.913 0.00 0.00 +0.158 HD ATOM 4 O LIG 1 1.177 -3.142 -1.022 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.322 -0.813 0.062 0.00 0.00 +0.200 A ATOM 6 N LIG 1 3.040 -1.918 0.440 0.00 0.00 -0.326 N ATOM 7 H LIG 1 2.813 -2.864 0.159 0.00 0.00 +0.169 HD ATOM 8 C LIG 1 4.074 -1.508 1.238 0.00 0.00 +0.067 A ATOM 9 C LIG 1 3.920 -0.126 1.302 0.00 0.00 +0.091 A ATOM 10 C LIG 1 4.832 0.628 2.056 0.00 0.00 +0.030 A ATOM 11 C LIG 1 5.869 -0.040 2.720 0.00 0.00 +0.002 A ATOM 12 C LIG 1 5.996 -1.429 2.636 0.00 0.00 +0.002 A ATOM 13 C LIG 1 5.097 -2.199 1.889 0.00 0.00 +0.028 A ATOM 14 N LIG 1 2.832 0.285 0.568 0.00 0.00 -0.214 NA ENDBRANCH 2 5 BRANCH 1 15 ATOM 15 C LIG 1 -0.507 -1.857 -2.155 0.00 0.00 +0.131 C BRANCH 15 19 ATOM 16 C LIG 1 -3.420 1.088 -0.752 0.00 0.00 +0.029 A ATOM 17 C LIG 1 -2.671 1.278 -1.927 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -1.738 0.337 -2.386 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -1.524 -0.848 -1.683 0.00 0.00 -0.039 A ATOM 20 C LIG 1 -2.270 -1.076 -0.527 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -3.200 -0.126 -0.080 0.00 0.00 +0.023 A BRANCH 16 23 ATOM 22 C LIG 1 -4.936 1.884 1.026 0.00 0.00 +0.129 C ATOM 23 N LIG 1 -4.359 2.030 -0.310 0.00 0.00 -0.336 N ATOM 24 C LIG 1 -4.263 3.402 -0.806 0.00 0.00 +0.129 C ENDBRANCH 16 23 ENDBRANCH 15 19 ENDBRANCH 1 15 TORSDOF 4