REMARK Name = BDB007858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.479 -0.432 -0.085 0.00 0.00 +0.125 A ATOM 2 N LIG 1 1.082 0.285 0.890 0.00 0.00 -0.233 NA ATOM 3 C LIG 1 2.427 0.159 1.020 0.00 0.00 +0.082 A ATOM 4 C LIG 1 3.115 0.881 2.143 0.00 0.00 +0.163 C ATOM 5 N LIG 1 4.553 0.941 1.994 0.00 0.00 -0.293 N ATOM 6 H LIG 1 5.098 1.461 2.667 0.00 0.00 +0.151 HD ATOM 7 C LIG 1 5.270 0.041 1.269 0.00 0.00 +0.304 C ATOM 8 N LIG 1 4.576 -0.750 0.404 0.00 0.00 -0.268 N ATOM 9 H LIG 1 5.138 -1.368 -0.166 0.00 0.00 +0.156 HD ATOM 10 O LIG 1 6.490 -0.031 1.373 0.00 0.00 -0.252 OA ATOM 11 C LIG 1 3.195 -0.672 0.215 0.00 0.00 +0.058 A ATOM 12 C LIG 1 2.563 -1.413 -0.771 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.181 -1.289 -0.924 0.00 0.00 +0.046 A ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 -1.808 -0.741 -1.053 0.00 0.00 +0.235 C ATOM 15 N LIG 1 -0.896 -0.237 -0.152 0.00 0.00 -0.269 N ATOM 16 H LIG 1 -1.262 0.443 0.508 0.00 0.00 +0.156 HD ATOM 17 O LIG 1 -1.555 -1.498 -1.985 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -3.255 -0.293 -0.714 0.00 0.00 +0.137 C ATOM 19 C LIG 1 -4.143 -0.378 -1.954 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 -4.438 1.412 0.580 0.00 0.00 +0.101 C ATOM 21 N LIG 1 -3.213 1.075 -0.136 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 -3.071 1.748 -0.892 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 15 TORSDOF 3