REMARK Name = BDB052634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.745 -0.382 -0.408 0.00 0.00 +0.039 C ATOM 2 C LIG 1 -0.267 0.609 -1.174 0.00 0.00 +0.048 C ATOM 3 C LIG 1 1.145 1.020 -1.222 0.00 0.00 +0.010 A ATOM 4 C LIG 1 1.210 2.085 -2.121 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.390 2.735 -2.410 0.00 0.00 +0.026 A ATOM 6 C LIG 1 3.545 2.284 -1.763 0.00 0.00 +0.025 A ATOM 7 C LIG 1 3.506 1.201 -0.854 0.00 0.00 +0.034 A ATOM 8 N LIG 1 -0.046 2.362 -2.646 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -0.265 3.078 -3.321 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 2.287 0.568 -0.579 0.00 0.00 +0.033 A ATOM 11 C LIG 1 -1.013 1.504 -2.137 0.00 0.00 +0.249 C ATOM 12 O LIG 1 -2.189 1.498 -2.440 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 23 ATOM 13 C LIG 1 -3.262 -0.099 0.099 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -4.341 -1.010 -0.117 0.00 0.00 +0.042 A ATOM 15 C LIG 1 -5.769 -0.895 0.153 0.00 0.00 +0.165 C ATOM 16 C LIG 1 -6.626 -2.107 -0.213 0.00 0.00 +0.080 C ATOM 17 C LIG 1 -6.038 -2.932 -1.370 0.00 0.00 +0.014 C ATOM 18 C LIG 1 -4.579 -3.349 -1.115 0.00 0.00 +0.054 C ATOM 19 O LIG 1 -6.247 0.087 0.726 0.00 0.00 -0.292 OA ATOM 20 C LIG 1 -3.814 -2.150 -0.687 0.00 0.00 +0.027 A ATOM 21 N LIG 1 -2.463 -1.986 -0.808 0.00 0.00 -0.358 N ATOM 22 H LIG 1 -1.822 -2.658 -1.211 0.00 0.00 +0.166 HD ATOM 23 C LIG 1 -2.112 -0.736 -0.349 0.00 0.00 +0.044 A BRANCH 13 24 ATOM 24 C LIG 1 -3.387 1.280 0.673 0.00 0.00 +0.049 C BRANCH 24 25 ATOM 25 C LIG 1 -3.735 1.265 2.156 0.00 0.00 +0.125 C BRANCH 25 27 ATOM 26 O LIG 1 -4.212 3.428 3.098 0.00 0.00 -0.251 OA ATOM 27 C LIG 1 -4.610 2.437 2.502 0.00 0.00 +0.305 C BRANCH 27 28 ATOM 28 O LIG 1 -5.892 2.299 2.096 0.00 0.00 -0.481 OA ATOM 29 H LIG 1 -6.071 1.459 1.599 0.00 0.00 +0.295 HD ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 13 24 ENDBRANCH 1 23 BRANCH 7 30 ATOM 30 N LIG 1 4.728 0.828 -0.255 0.00 0.00 -0.281 N ATOM 31 H LIG 1 5.536 1.377 -0.520 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 4.959 -0.261 0.568 0.00 0.00 +0.248 C ATOM 33 O LIG 1 4.160 -1.144 0.853 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 6.347 -0.359 1.100 0.00 0.00 +0.037 A ATOM 35 C LIG 1 7.075 0.779 1.473 0.00 0.00 +0.013 A ATOM 36 C LIG 1 8.374 0.643 1.969 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.943 -0.624 2.100 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.215 -1.759 1.748 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.917 -1.629 1.253 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 7 30 TORSDOF 7