REMARK Name = BDB015159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.780 2.626 0.890 0.00 0.00 +0.122 A ATOM 2 C LIG 1 0.225 2.026 0.118 0.00 0.00 +0.068 A ATOM 3 C LIG 1 1.563 1.980 0.539 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.861 2.586 1.769 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.872 3.195 2.545 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.451 3.214 2.108 0.00 0.00 +0.046 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.590 1.385 -0.215 0.00 0.00 -0.325 N ATOM 8 C LIG 1 3.323 0.306 0.525 0.00 0.00 +0.144 C ATOM 9 C LIG 1 4.291 -0.458 -0.320 0.00 0.00 +0.018 A ATOM 10 C LIG 1 4.406 -0.233 -1.671 0.00 0.00 +0.043 A ATOM 11 N LIG 1 5.328 -1.109 -2.136 0.00 0.00 -0.281 N ATOM 12 H LIG 1 5.673 -1.230 -3.083 0.00 0.00 +0.189 HD ATOM 13 N LIG 1 5.802 -1.923 -1.177 0.00 0.00 -0.173 NA ATOM 14 C LIG 1 3.634 0.780 -2.428 0.00 0.00 +0.074 C ATOM 15 C LIG 1 5.194 -1.519 -0.045 0.00 0.00 +0.097 A ATOM 16 C LIG 1 2.327 1.094 -1.650 0.00 0.00 +0.111 C BRANCH 15 17 ATOM 17 C LIG 1 5.469 -2.175 1.231 0.00 0.00 +0.002 A ATOM 18 C LIG 1 5.537 -3.574 1.299 0.00 0.00 +0.010 A ATOM 19 C LIG 1 5.788 -4.215 2.515 0.00 0.00 +0.001 A ATOM 20 C LIG 1 5.982 -3.462 3.671 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.931 -2.070 3.612 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.679 -1.428 2.397 0.00 0.00 +0.010 A ENDBRANCH 15 17 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 O LIG 1 -2.032 2.560 0.341 0.00 0.00 -0.489 OA BRANCH 23 24 ATOM 24 C LIG 1 -3.101 3.167 1.066 0.00 0.00 +0.261 C BRANCH 24 25 ATOM 25 C LIG 1 -4.440 2.986 0.333 0.00 0.00 +0.166 C BRANCH 25 26 ATOM 26 O LIG 1 -4.481 3.788 -0.856 0.00 0.00 -0.387 OA ATOM 27 H LIG 1 -4.673 3.152 -1.578 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.813 1.512 0.018 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 N LIG 1 -4.775 1.168 -1.425 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -5.617 -0.015 -1.714 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -5.027 -1.343 -1.287 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -3.637 -1.500 -1.139 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -3.112 -2.750 -0.780 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -3.958 -3.842 -0.593 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.334 -3.694 -0.759 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.717 -0.317 -1.300 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -5.866 -2.452 -1.108 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -3.415 0.897 -1.934 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8