REMARK Name = BDB028880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.598 0.261 1.269 0.00 0.00 +0.014 A ATOM 2 C LIG 1 2.756 -1.072 0.802 0.00 0.00 +0.091 A ATOM 3 C LIG 1 1.729 -1.826 1.327 0.00 0.00 +0.149 A ATOM 4 N LIG 1 1.462 -3.136 1.109 0.00 0.00 -0.219 NA ATOM 5 C LIG 1 2.336 -3.706 0.329 0.00 0.00 +0.204 A ATOM 6 N LIG 1 3.436 -3.090 -0.255 0.00 0.00 -0.302 N ATOM 7 C LIG 1 4.309 -3.839 -1.131 0.00 0.00 +0.153 C ATOM 8 N LIG 1 0.955 -1.008 2.105 0.00 0.00 -0.322 N ATOM 9 C LIG 1 3.715 -1.729 -0.066 0.00 0.00 +0.263 A ATOM 10 O LIG 1 4.667 -1.148 -0.581 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 1.476 0.264 2.083 0.00 0.00 +0.097 A ENDROOT BRANCH 1 17 ATOM 12 C LIG 1 5.216 4.206 2.854 0.00 0.00 +0.047 C ATOM 13 C LIG 1 4.617 3.411 1.729 0.00 0.00 -0.008 A ATOM 14 C LIG 1 4.826 3.777 0.390 0.00 0.00 +0.132 A ATOM 15 C LIG 1 4.269 3.021 -0.655 0.00 0.00 +0.079 A ATOM 16 C LIG 1 3.554 1.853 -0.359 0.00 0.00 +0.025 A ATOM 17 C LIG 1 3.357 1.462 0.971 0.00 0.00 -0.014 A ATOM 18 C LIG 1 3.881 2.248 2.007 0.00 0.00 +0.015 A BRANCH 15 19 ATOM 19 C LIG 1 4.385 3.413 -2.087 0.00 0.00 +0.245 C ATOM 20 O LIG 1 4.332 2.598 -2.998 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 4.519 4.755 -2.352 0.00 0.00 -0.325 N ATOM 22 H LIG 1 4.408 4.998 -3.330 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 4.162 5.432 -1.685 0.00 0.00 +0.145 HD ENDBRANCH 15 19 BRANCH 14 24 ATOM 24 O LIG 1 5.613 4.879 0.153 0.00 0.00 -0.506 OA ATOM 25 H LIG 1 5.944 4.817 -0.765 0.00 0.00 +0.292 HD ENDBRANCH 14 24 ENDBRANCH 1 17 BRANCH 8 26 ATOM 26 C LIG 1 -0.243 -1.423 2.819 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 -1.497 -1.300 1.972 0.00 0.00 +0.237 C ATOM 28 N LIG 1 -1.445 -1.985 0.769 0.00 0.00 -0.283 N ATOM 29 H LIG 1 -0.597 -2.529 0.585 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -2.464 -0.666 2.395 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 -2.391 -1.964 -0.288 0.00 0.00 +0.057 A ATOM 32 C LIG 1 -2.121 -2.699 -1.449 0.00 0.00 +0.080 A ATOM 33 CL LIG 1 -0.691 -3.651 -1.635 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 -3.027 -2.636 -2.492 0.00 0.00 +0.134 A ATOM 35 N LIG 1 -4.162 -1.905 -2.464 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 -4.447 -1.210 -1.339 0.00 0.00 +0.123 A ATOM 37 C LIG 1 -3.573 -1.218 -0.246 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 N LIG 1 -5.616 -0.423 -1.278 0.00 0.00 -0.311 N ATOM 39 C LIG 1 -6.570 -0.893 -0.252 0.00 0.00 +0.134 C ATOM 40 C LIG 1 -7.771 0.070 -0.189 0.00 0.00 +0.178 C ATOM 41 O LIG 1 -8.417 0.201 -1.466 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 -7.481 0.684 -2.446 0.00 0.00 +0.178 C ATOM 43 C LIG 1 -6.277 -0.260 -2.591 0.00 0.00 +0.134 C ENDBRANCH 36 38 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7