REMARK Name = BDB004871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.691 -2.547 -1.023 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.273 -3.398 0.181 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 1.563 -0.583 -1.689 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.618 -1.411 -1.074 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.644 -1.638 -1.655 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.939 -1.006 -2.875 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.008 -0.174 -3.493 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.237 0.035 -2.902 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.419 -0.886 -0.035 0.00 0.00 +0.251 C ATOM 10 N LIG 1 2.841 -0.308 -1.152 0.00 0.00 -0.281 N ATOM 11 H LIG 1 3.405 0.321 -1.707 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.968 -1.804 0.638 0.00 0.00 -0.270 OA BRANCH 9 16 ATOM 13 C LIG 1 7.178 0.558 1.095 0.00 0.00 +0.318 A ATOM 14 N LIG 1 6.339 1.439 0.519 0.00 0.00 -0.203 NA ATOM 15 C LIG 1 5.125 0.959 0.168 0.00 0.00 +0.130 A ATOM 16 C LIG 1 4.740 -0.351 0.346 0.00 0.00 +0.073 A ATOM 17 C LIG 1 5.671 -1.158 0.964 0.00 0.00 +0.130 A ATOM 18 N LIG 1 6.898 -0.731 1.337 0.00 0.00 -0.203 NA BRANCH 13 20 ATOM 19 C LIG 1 8.681 2.338 1.259 0.00 0.00 +0.280 C ATOM 20 O LIG 1 8.438 0.956 1.481 0.00 0.00 -0.466 OA ENDBRANCH 13 20 ENDBRANCH 9 16 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 -2.965 -1.848 -0.786 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -3.703 -2.511 -0.568 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.032 -0.787 0.137 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.238 -0.065 0.270 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -4.254 0.973 1.222 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.455 1.698 1.377 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.594 1.405 0.601 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -6.562 0.393 -0.344 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -3.148 1.252 1.948 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -2.052 0.520 1.722 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -5.392 -0.334 -0.509 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -1.946 -0.484 0.857 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -5.617 2.819 2.356 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -6.671 3.441 2.453 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -4.562 3.145 3.154 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -3.675 2.655 3.070 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -4.655 3.910 3.806 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7