REMARK Name = LIG001378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.885 0.616 0.254 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.424 0.035 0.238 0.00 0.00 +0.003 A ATOM 3 C LIG 1 -1.327 1.046 -0.094 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -2.706 0.827 -0.200 0.00 0.00 +0.026 A ATOM 5 C LIG 1 -3.177 -0.467 0.041 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.302 -1.498 0.373 0.00 0.00 +0.001 A ATOM 7 N LIG 1 -0.597 2.196 -0.277 0.00 0.00 -0.360 N ATOM 8 H LIG 1 -0.992 3.089 -0.535 0.00 0.00 +0.165 HD ATOM 9 C LIG 1 -0.926 -1.262 0.474 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.733 1.954 -0.060 0.00 0.00 +0.087 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 2.169 -0.084 0.568 0.00 0.00 +0.157 C BRANCH 11 13 ATOM 12 O LIG 1 2.427 -0.773 -1.786 0.00 0.00 -0.251 OA ATOM 13 C LIG 1 2.727 -0.853 -0.606 0.00 0.00 +0.309 C BRANCH 13 14 ATOM 14 O LIG 1 3.712 -1.700 -0.227 0.00 0.00 -0.480 OA ATOM 15 H LIG 1 3.989 -2.115 -1.071 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 TORSDOF 3