REMARK Name = BDB055463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.018 -0.181 -0.095 0.00 0.00 +0.003 A ATOM 2 C LIG 1 1.877 -1.198 -0.565 0.00 0.00 +0.037 A ATOM 3 C LIG 1 3.239 -0.911 -0.720 0.00 0.00 +0.068 A ATOM 4 C LIG 1 3.791 0.329 -0.428 0.00 0.00 +0.041 A ATOM 5 C LIG 1 5.172 0.183 -0.723 0.00 0.00 +0.146 A ATOM 6 N LIG 1 5.471 -1.037 -1.159 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 2.947 1.347 0.047 0.00 0.00 +0.014 A ATOM 8 N LIG 1 4.288 -1.675 -1.153 0.00 0.00 -0.275 N ATOM 9 H LIG 1 4.263 -2.641 -1.457 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.578 1.076 0.209 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -2.721 0.143 0.068 0.00 0.00 +0.126 A ATOM 12 N LIG 1 -3.038 -1.120 0.396 0.00 0.00 -0.200 NA ATOM 13 C LIG 1 -2.042 -1.988 0.574 0.00 0.00 +0.215 A ATOM 14 N LIG 1 -0.749 -1.716 0.413 0.00 0.00 -0.215 NA ATOM 15 C LIG 1 -0.428 -0.452 0.074 0.00 0.00 +0.078 A ATOM 16 C LIG 1 -1.400 0.512 -0.117 0.00 0.00 +0.072 A BRANCH 11 18 ATOM 17 C LIG 1 -3.631 2.249 0.762 0.00 0.00 +0.130 C ATOM 18 N LIG 1 -3.745 1.098 -0.136 0.00 0.00 -0.321 N ATOM 19 C LIG 1 -5.082 0.500 -0.164 0.00 0.00 +0.130 C ENDBRANCH 11 18 BRANCH 13 20 ATOM 20 N LIG 1 -2.382 -3.285 0.902 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -1.650 -3.913 0.604 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -3.321 -3.477 0.583 0.00 0.00 +0.145 HD ENDBRANCH 13 20 ENDBRANCH 1 15 BRANCH 5 23 ATOM 23 N LIG 1 6.093 1.148 -0.571 0.00 0.00 -0.341 N ATOM 24 H LIG 1 5.934 1.878 0.112 0.00 0.00 +0.144 HD ATOM 25 H LIG 1 7.056 0.829 -0.592 0.00 0.00 +0.144 HD ENDBRANCH 5 23 TORSDOF 4