REMARK Name = BDB007627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.336 2.125 1.342 0.00 0.00 +0.244 C ATOM 2 N LIG 1 1.548 2.668 0.980 0.00 0.00 -0.309 N ATOM 3 H LIG 1 1.804 2.671 0.000 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.103 1.744 2.485 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.615 0.709 -0.570 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -1.651 0.957 0.419 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -0.666 1.944 0.257 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -0.666 2.737 -0.892 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.637 2.530 -1.869 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -2.603 1.531 -1.702 0.00 0.00 +0.023 A BRANCH 5 11 ATOM 11 N LIG 1 -3.594 -0.251 -0.308 0.00 0.00 -0.341 N ATOM 12 H LIG 1 -3.256 -0.964 0.334 0.00 0.00 +0.146 HD BRANCH 11 19 ATOM 13 C LIG 1 -6.364 -3.733 0.315 0.00 0.00 +0.038 C ATOM 14 C LIG 1 -5.881 -2.301 0.123 0.00 0.00 +0.117 C ATOM 15 O LIG 1 -7.026 -1.487 -0.138 0.00 0.00 -0.374 OA ATOM 16 C LIG 1 -6.683 -0.101 -0.235 0.00 0.00 +0.117 C ATOM 17 C LIG 1 -7.979 0.684 -0.393 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -5.759 0.123 -1.432 0.00 0.00 +0.053 C ATOM 19 C LIG 1 -4.504 -0.753 -1.345 0.00 0.00 +0.075 C ATOM 20 C LIG 1 -4.895 -2.207 -1.042 0.00 0.00 +0.053 C ENDBRANCH 11 19 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 2.649 2.806 1.924 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 3.309 1.475 2.341 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 2.516 0.791 3.322 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 1.575 1.019 3.154 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 3.589 0.511 1.165 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 4.332 1.098 0.031 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 4.377 0.164 -1.114 0.00 0.00 +0.120 C ATOM 28 C LIG 1 5.374 -0.968 -0.986 0.00 0.00 -0.030 A ATOM 29 C LIG 1 6.479 -0.865 -0.122 0.00 0.00 -0.042 A ATOM 30 C LIG 1 7.406 -1.913 -0.050 0.00 0.00 +0.004 A ATOM 31 C LIG 1 7.252 -3.046 -0.848 0.00 0.00 +0.000 A ATOM 32 C LIG 1 6.169 -3.143 -1.719 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.633 0.338 0.774 0.00 0.00 +0.051 C ATOM 34 C LIG 1 5.237 -2.108 -1.791 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.710 1.498 0.371 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 8