REMARK Name = BDB027819 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.548 0.661 0.212 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.191 2.040 0.196 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.157 2.376 -0.032 0.00 0.00 +0.092 A ATOM 4 C LIG 1 1.473 3.726 -0.023 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.606 4.754 0.171 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.677 4.409 0.359 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.117 1.462 -0.258 0.00 0.00 -0.244 NA ATOM 8 C LIG 1 1.774 0.151 -0.291 0.00 0.00 +0.092 A ATOM 9 C LIG 1 -1.116 3.096 0.379 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.460 -0.262 -0.070 0.00 0.00 +0.053 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.870 -0.810 -0.569 0.00 0.00 +0.092 A ATOM 12 N LIG 1 2.543 -2.128 -0.577 0.00 0.00 -0.234 NA ATOM 13 C LIG 1 3.535 -2.995 -0.828 0.00 0.00 +0.221 A ATOM 14 N LIG 1 4.814 -2.685 -1.069 0.00 0.00 -0.244 NA ATOM 15 C LIG 1 5.104 -1.373 -1.053 0.00 0.00 +0.114 A ATOM 16 C LIG 1 4.170 -0.393 -0.808 0.00 0.00 +0.049 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.880 0.306 0.433 0.00 0.00 -0.339 N ATOM 18 H LIG 1 -2.271 0.873 1.183 0.00 0.00 +0.147 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.391 -1.667 -1.006 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.523 -1.019 0.379 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -4.032 -0.768 0.617 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -2.024 -1.935 1.502 0.00 0.00 +0.031 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3