REMARK Name = BDB053415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.335 0.555 -2.338 0.00 0.00 +0.187 C ATOM 2 N LIG 1 -1.246 -0.304 -3.379 0.00 0.00 -0.253 N ATOM 3 H LIG 1 -1.756 -0.276 -4.242 0.00 0.00 +0.158 HD ATOM 4 C LIG 1 -0.295 -1.233 -3.106 0.00 0.00 +0.269 C ATOM 5 O LIG 1 0.080 -2.157 -3.798 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 0.166 -0.825 -1.752 0.00 0.00 +0.130 C ATOM 7 C LIG 1 1.124 -1.494 -1.099 0.00 0.00 +0.041 C ATOM 8 N LIG 1 -0.529 0.296 -1.355 0.00 0.00 -0.213 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 1.665 -1.181 0.233 0.00 0.00 -0.019 A ATOM 10 C LIG 1 3.014 -1.474 0.490 0.00 0.00 +0.057 A ATOM 11 C LIG 1 3.513 -1.214 1.751 0.00 0.00 +0.167 A ATOM 12 O LIG 1 4.793 -1.432 2.158 0.00 0.00 -0.453 OA ATOM 13 C LIG 1 4.721 -0.981 3.527 0.00 0.00 +0.466 C ATOM 14 O LIG 1 3.411 -0.515 3.911 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 2.727 -0.692 2.749 0.00 0.00 +0.166 A ATOM 16 C LIG 1 1.397 -0.405 2.544 0.00 0.00 +0.050 A ATOM 17 C LIG 1 0.865 -0.659 1.274 0.00 0.00 +0.012 A ENDBRANCH 7 9 BRANCH 1 18 ATOM 18 N LIG 1 -2.227 1.574 -2.412 0.00 0.00 -0.317 N ATOM 19 H LIG 1 -2.905 1.573 -3.161 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 C LIG 1 -2.503 2.475 -1.310 0.00 0.00 +0.104 C BRANCH 20 22 ATOM 21 C LIG 1 -3.589 0.779 0.251 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -3.764 2.058 -0.554 0.00 0.00 +0.015 C ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 4