REMARK Name = BDB053213 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.052 -0.695 -0.002 0.00 0.00 -0.277 N ATOM 2 H LIG 1 1.365 -1.445 -0.047 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 1.647 0.546 0.442 0.00 0.00 +0.248 C ATOM 4 O LIG 1 2.382 1.508 0.637 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 5.746 -0.896 -0.753 0.00 0.00 +0.020 A ATOM 6 C LIG 1 4.442 -0.365 -0.349 0.00 0.00 +0.040 A ATOM 7 C LIG 1 3.322 -1.107 -0.358 0.00 0.00 +0.099 A ATOM 8 C LIG 1 3.429 -2.545 -0.793 0.00 0.00 +0.270 A ATOM 9 O LIG 1 2.436 -3.269 -0.829 0.00 0.00 -0.266 OA ATOM 10 N LIG 1 4.681 -2.984 -1.139 0.00 0.00 -0.327 N ATOM 11 H LIG 1 4.751 -3.954 -1.420 0.00 0.00 +0.168 HD ATOM 12 C LIG 1 5.802 -2.192 -1.118 0.00 0.00 +0.096 A BRANCH 5 15 ATOM 13 C LIG 1 9.311 -0.065 -0.607 0.00 0.00 +0.137 A ATOM 14 N LIG 1 8.169 -0.782 -0.597 0.00 0.00 -0.229 NA ATOM 15 C LIG 1 7.001 -0.099 -0.761 0.00 0.00 +0.093 A ATOM 16 C LIG 1 7.006 1.282 -0.948 0.00 0.00 +0.139 A ATOM 17 N LIG 1 8.139 2.023 -0.962 0.00 0.00 -0.258 NA ATOM 18 C LIG 1 9.280 1.319 -0.773 0.00 0.00 +0.154 A BRANCH 13 20 ATOM 19 C LIG 1 11.495 -0.605 -1.438 0.00 0.00 +0.127 C ATOM 20 N LIG 1 10.485 -0.794 -0.411 0.00 0.00 -0.331 N ATOM 21 H LIG 1 10.181 -1.765 -0.345 0.00 0.00 +0.147 HD ENDBRANCH 13 20 ENDBRANCH 5 15 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 0.189 0.685 0.724 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -0.782 -0.029 0.022 0.00 0.00 +0.015 A ATOM 24 C LIG 1 -2.141 0.143 0.330 0.00 0.00 +0.024 A ATOM 25 C LIG 1 -2.581 1.021 1.335 0.00 0.00 +0.030 A ATOM 26 C LIG 1 -1.579 1.748 2.000 0.00 0.00 +0.024 A ATOM 27 C LIG 1 -0.218 1.588 1.705 0.00 0.00 +0.015 A BRANCH 25 28 ATOM 28 N LIG 1 -3.922 1.194 1.627 0.00 0.00 -0.326 N ATOM 29 C LIG 1 -4.990 0.299 1.119 0.00 0.00 +0.087 C ATOM 30 C LIG 1 -6.061 0.371 2.222 0.00 0.00 +0.025 C ATOM 31 C LIG 1 -5.883 1.762 2.805 0.00 0.00 +0.021 C ATOM 32 C LIG 1 -4.371 1.935 2.807 0.00 0.00 +0.105 C BRANCH 29 33 ATOM 33 C LIG 1 -5.501 0.792 -0.266 0.00 0.00 +0.106 C BRANCH 33 34 ATOM 34 N LIG 1 -6.103 -0.258 -1.106 0.00 0.00 -0.301 NA ATOM 35 C LIG 1 -6.369 0.226 -2.464 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -7.258 -0.860 -3.046 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.964 -1.476 -1.845 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.391 -0.759 -0.630 0.00 0.00 +0.084 C ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 25 28 ENDBRANCH 3 22 TORSDOF 7