REMARK Name = BDB064049 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.334 0.056 -0.753 0.00 0.00 -0.269 N ATOM 2 H LIG 1 0.087 0.220 -1.716 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -0.721 0.061 0.150 0.00 0.00 +0.308 C ATOM 4 N LIG 1 -1.926 -0.087 -0.525 0.00 0.00 -0.269 N ATOM 5 H LIG 1 -1.855 -0.433 -1.470 0.00 0.00 +0.156 HD ATOM 6 O LIG 1 -0.607 0.180 1.362 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 6.994 0.172 -0.147 0.00 0.00 +0.175 C ATOM 8 N LIG 1 5.711 0.033 0.488 0.00 0.00 -0.247 N ATOM 9 C LIG 1 4.464 0.083 -0.075 0.00 0.00 +0.089 A ATOM 10 C LIG 1 3.624 -0.113 1.015 0.00 0.00 +0.114 A ATOM 11 C LIG 1 2.232 -0.125 0.831 0.00 0.00 +0.055 A ATOM 12 C LIG 1 1.715 0.065 -0.457 0.00 0.00 +0.037 A ATOM 13 C LIG 1 2.593 0.251 -1.537 0.00 0.00 +0.025 A ATOM 14 N LIG 1 4.374 -0.274 2.150 0.00 0.00 -0.129 NA ATOM 15 C LIG 1 3.986 0.268 -1.374 0.00 0.00 +0.031 A ATOM 16 N LIG 1 5.655 -0.183 1.815 0.00 0.00 -0.065 NA ENDBRANCH 1 12 BRANCH 4 17 ATOM 17 C LIG 1 -3.226 -0.020 0.020 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -4.289 -0.385 -0.815 0.00 0.00 +0.056 A ATOM 19 C LIG 1 -5.608 -0.331 -0.337 0.00 0.00 +0.128 A ATOM 20 C LIG 1 -5.880 0.088 0.969 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -4.822 0.458 1.795 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -3.505 0.407 1.322 0.00 0.00 +0.023 A BRANCH 19 23 ATOM 23 N LIG 1 -6.713 -0.718 -1.222 0.00 0.00 +0.056 N ATOM 24 O LIG 1 -6.429 -1.065 -2.378 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 -7.863 -0.674 -0.764 0.00 0.00 -0.126 OA ENDBRANCH 19 23 ENDBRANCH 4 17 TORSDOF 3