REMARK Name = BDB025057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.084 -0.265 0.349 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.887 -0.999 0.406 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.005 -2.465 0.252 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.638 -3.108 1.496 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.684 -3.195 -0.038 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.804 -2.367 -0.950 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.523 -1.073 -0.243 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.244 -0.479 -0.247 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.091 -0.922 -0.836 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.838 -0.025 -0.569 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.320 0.995 0.211 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.023 0.721 0.416 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.044 1.379 1.109 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.315 0.790 1.097 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.579 -0.409 0.421 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.198 -0.784 0.331 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.014 2.152 0.771 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.572 3.129 -0.279 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.022 3.517 0.001 0.00 0.00 +0.083 C ATOM 20 N LIG 1 -3.258 3.923 1.380 0.00 0.00 -0.316 NA ATOM 21 H LIG 1 -2.939 4.880 1.533 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 -2.689 3.040 2.396 0.00 0.00 +0.083 C ATOM 23 C LIG 1 -2.039 1.774 1.845 0.00 0.00 +0.040 C ENDBRANCH 11 17 BRANCH 1 25 ATOM 24 C LIG 1 7.130 1.827 0.115 0.00 0.00 +0.282 C ATOM 25 O LIG 1 5.917 1.085 0.241 0.00 0.00 -0.453 OA ENDBRANCH 1 25 BRANCH 10 26 ATOM 26 C LIG 1 -2.255 -0.137 -1.068 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -2.257 -0.154 -2.602 0.00 0.00 +0.016 C BRANCH 26 28 ATOM 28 C LIG 1 -2.913 -1.402 -0.476 0.00 0.00 +0.046 C BRANCH 28 29 ATOM 29 C LIG 1 -4.397 -1.499 -0.751 0.00 0.00 -0.044 A ATOM 30 C LIG 1 -4.885 -2.431 -1.680 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -6.251 -2.510 -1.936 0.00 0.00 +0.159 A ATOM 32 F LIG 1 -6.701 -3.403 -2.829 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -7.140 -1.671 -1.277 0.00 0.00 +0.158 A ATOM 34 F LIG 1 -8.454 -1.748 -1.527 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -6.675 -0.743 -0.352 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -5.306 -0.657 -0.087 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 10 26 TORSDOF 5