REMARK Name = BDB032302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.706 0.168 -1.483 0.00 0.00 +0.138 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -1.464 1.056 -1.778 0.00 0.00 +0.119 A ATOM 3 N LIG 1 -1.061 -0.213 -1.578 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 0.269 -0.455 -1.491 0.00 0.00 +0.118 A ATOM 5 C LIG 1 1.251 0.520 -1.602 0.00 0.00 -0.012 A ATOM 6 C LIG 1 0.820 1.831 -1.793 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.546 2.099 -1.881 0.00 0.00 +0.044 A BRANCH 2 8 ATOM 8 N LIG 1 -2.831 1.377 -1.851 0.00 0.00 -0.329 N ATOM 9 H LIG 1 -2.986 1.905 -2.705 0.00 0.00 +0.147 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.759 0.251 -1.741 0.00 0.00 +0.106 C BRANCH 10 15 ATOM 11 C LIG 1 -7.220 -0.462 1.592 0.00 0.00 +0.104 C ATOM 12 N LIG 1 -5.836 -0.700 1.995 0.00 0.00 -0.305 NA ATOM 13 C LIG 1 -5.021 0.520 1.941 0.00 0.00 +0.084 C ATOM 14 C LIG 1 -4.668 0.977 0.524 0.00 0.00 +0.020 C ATOM 15 C LIG 1 -4.000 -0.152 -0.277 0.00 0.00 +0.008 C ATOM 16 C LIG 1 -4.865 -1.419 -0.212 0.00 0.00 +0.020 C ATOM 17 C LIG 1 -5.210 -1.787 1.233 0.00 0.00 +0.084 C ENDBRANCH 10 15 ENDBRANCH 8 10 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 18 ATOM 18 N LIG 1 3.024 -0.111 -0.087 0.00 0.00 -0.339 N ATOM 19 H LIG 1 2.535 0.511 0.554 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 4.375 -0.241 0.256 0.00 0.00 +0.040 A ATOM 21 C LIG 1 4.901 0.322 1.443 0.00 0.00 +0.039 A ATOM 22 C LIG 1 6.250 0.132 1.721 0.00 0.00 +0.141 A ATOM 23 N LIG 1 6.539 0.762 2.900 0.00 0.00 -0.346 N ATOM 24 H LIG 1 7.457 0.767 3.321 0.00 0.00 +0.167 HD ATOM 25 C LIG 1 5.409 1.357 3.399 0.00 0.00 +0.085 A ATOM 26 N LIG 1 7.152 -0.545 0.993 0.00 0.00 -0.223 NA ATOM 27 CA LIG 1 6.613 -1.098 -0.123 0.00 0.00 +0.151 A ATOM 28 C LIG 1 4.378 1.101 2.519 0.00 0.00 +0.031 A ATOM 29 C LIG 1 5.279 -0.982 -0.518 0.00 0.00 +0.058 A BRANCH 27 30 ATOM 30 C LIG 1 7.527 -1.893 -1.000 0.00 0.00 +0.355 C ATOM 31 O LIG 1 7.217 -2.425 -2.054 0.00 0.00 -0.243 OA BRANCH 30 32 ATOM 32 OXT LIG 1 8.785 -1.984 -0.526 0.00 0.00 -0.476 OA ATOM 33 HXT LIG 1 9.261 -2.525 -1.187 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 27 30 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 8