REMARK Name = BDB046914 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.428 -0.202 1.669 0.00 0.00 +0.142 C ENDROOT BRANCH 1 6 ATOM 2 O LIG 1 -6.591 -0.144 -1.589 0.00 0.00 -0.267 OA ATOM 3 C LIG 1 -5.596 -0.619 -1.056 0.00 0.00 +0.259 A ATOM 4 C LIG 1 -4.663 0.202 -0.266 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -3.562 -0.437 0.310 0.00 0.00 +0.100 A ATOM 6 C LIG 1 -2.688 0.374 1.042 0.00 0.00 +0.081 A ATOM 7 N LIG 1 -2.890 1.718 1.215 0.00 0.00 -0.256 NA ATOM 8 C LIG 1 -3.973 2.277 0.637 0.00 0.00 +0.112 A ATOM 9 N LIG 1 -3.353 -1.827 0.173 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -4.194 -2.495 -0.538 0.00 0.00 +0.199 A ATOM 11 C LIG 1 -4.885 1.569 -0.113 0.00 0.00 +0.035 A ATOM 12 N LIG 1 -5.282 -1.949 -1.152 0.00 0.00 -0.313 N ATOM 13 H LIG 1 -5.913 -2.521 -1.693 0.00 0.00 +0.170 HD ENDBRANCH 1 6 BRANCH 1 14 ATOM 14 N LIG 1 -0.277 -0.262 0.750 0.00 0.00 -0.294 NA ATOM 15 C LIG 1 0.213 1.082 0.362 0.00 0.00 +0.104 C ATOM 16 C LIG 1 1.753 1.272 0.345 0.00 0.00 +0.122 C ATOM 17 N LIG 1 2.429 0.101 -0.226 0.00 0.00 -0.313 N ATOM 18 C LIG 1 2.001 -1.204 0.309 0.00 0.00 +0.122 C ATOM 19 C LIG 1 0.810 -1.084 1.292 0.00 0.00 +0.104 C BRANCH 17 20 ATOM 20 C LIG 1 3.795 0.255 -0.469 0.00 0.00 +0.121 A ATOM 21 N LIG 1 4.411 1.396 -0.085 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 5.731 1.538 -0.340 0.00 0.00 +0.113 A ATOM 23 C LIG 1 6.501 0.587 -0.980 0.00 0.00 +0.020 A ATOM 24 C LIG 1 5.874 -0.578 -1.389 0.00 0.00 +0.005 A ATOM 25 C LIG 1 4.513 -0.742 -1.135 0.00 0.00 +0.043 A ENDBRANCH 17 20 ENDBRANCH 1 14 TORSDOF 3