REMARK Name = BDB004716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.381 0.854 -1.164 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -1.451 0.305 -0.439 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -2.512 1.175 -0.146 0.00 0.00 +0.088 A ATOM 4 C LIG 1 -3.584 0.648 0.603 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -3.607 -0.702 1.020 0.00 0.00 +0.060 A ATOM 6 C LIG 1 -2.567 -1.557 0.697 0.00 0.00 +0.122 A ATOM 7 N LIG 1 -2.488 2.455 -0.590 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -1.434 2.849 -1.318 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -1.499 -1.050 -0.032 0.00 0.00 +0.059 A ATOM 10 N LIG 1 -0.375 2.108 -1.637 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -4.774 1.462 1.006 0.00 0.00 +0.244 C ATOM 12 O LIG 1 -5.719 0.965 1.610 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 -4.793 2.788 0.690 0.00 0.00 -0.325 N ATOM 14 H LIG 1 -5.612 3.333 0.915 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 -4.047 3.199 0.136 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 0.767 0.093 -1.478 0.00 0.00 -0.320 N ATOM 17 H LIG 1 1.050 0.522 -2.363 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 1.906 0.422 -0.575 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 3.180 -0.106 -1.238 0.00 0.00 -0.026 A ATOM 20 C LIG 1 3.284 -1.445 -1.651 0.00 0.00 +0.005 A ATOM 21 C LIG 1 4.455 -1.919 -2.243 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.538 -1.062 -2.428 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.450 0.269 -2.025 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.279 0.746 -1.433 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 1.792 -0.185 0.860 0.00 0.00 +0.107 C BRANCH 25 27 ATOM 26 C LIG 1 1.279 1.780 2.214 0.00 0.00 +0.101 C ATOM 27 N LIG 1 0.842 0.458 1.791 0.00 0.00 -0.317 NA ATOM 28 H LIG 1 0.742 -0.139 2.613 0.00 0.00 +0.122 HD ENDBRANCH 25 27 ENDBRANCH 18 25 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 6 29 ATOM 29 O LIG 1 -2.471 -2.878 1.028 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 -3.555 -3.440 1.758 0.00 0.00 +0.277 C ENDBRANCH 6 29 TORSDOF 7