REMARK Name = BDB032112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.004 0.353 -0.249 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.012 1.584 -0.899 0.00 0.00 +0.136 A ATOM 3 N LIG 1 -0.986 1.999 -1.748 0.00 0.00 -0.238 NA ATOM 4 C LIG 1 -2.023 1.165 -1.959 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -2.072 -0.101 -1.393 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -1.056 -0.502 -0.519 0.00 0.00 +0.028 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.346 -1.147 1.241 0.00 0.00 +0.220 C ATOM 8 N LIG 1 1.070 0.065 0.632 0.00 0.00 -0.284 N ATOM 9 H LIG 1 1.752 0.812 0.711 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 0.702 -2.179 1.062 0.00 0.00 -0.275 OA BRANCH 7 13 ATOM 11 C LIG 1 4.352 -0.523 0.657 0.00 0.00 +0.074 C ATOM 12 C LIG 1 3.638 -0.139 1.960 0.00 0.00 +0.035 C ATOM 13 C LIG 1 2.509 -1.127 2.260 0.00 0.00 +0.077 C ATOM 14 C LIG 1 3.125 -2.532 2.426 0.00 0.00 +0.013 C ATOM 15 C LIG 1 3.975 -2.952 1.219 0.00 0.00 +0.003 C ATOM 16 C LIG 1 5.008 -1.895 0.821 0.00 0.00 +0.022 C BRANCH 11 18 ATOM 17 C LIG 1 4.848 1.705 -0.224 0.00 0.00 +0.237 C ATOM 18 N LIG 1 5.299 0.502 0.264 0.00 0.00 -0.309 N ATOM 19 H LIG 1 6.266 0.415 0.545 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 3.659 1.985 -0.355 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 7.157 2.433 -0.867 0.00 0.00 +0.013 C ATOM 22 C LIG 1 5.894 2.714 -0.517 0.00 0.00 +0.059 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 N LIG 1 -2.969 1.665 -2.851 0.00 0.00 -0.265 N ATOM 24 H LIG 1 -2.620 2.444 -3.392 0.00 0.00 +0.157 HD ATOM 25 C LIG 1 -4.253 1.284 -3.159 0.00 0.00 +0.268 C ATOM 26 O LIG 1 -4.756 1.645 -4.226 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 -5.099 0.525 -2.191 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -4.846 0.703 -0.868 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 -5.630 0.036 0.008 0.00 0.00 +0.089 A ATOM 30 C LIG 1 -6.674 -0.792 -0.386 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -6.930 -0.941 -1.748 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.134 -0.269 -2.670 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 -5.266 0.248 1.399 0.00 0.00 +0.084 A ATOM 34 N LIG 1 -4.213 1.056 1.752 0.00 0.00 -0.275 N ATOM 35 H LIG 1 -3.605 1.567 1.118 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -4.006 1.141 3.079 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -4.955 0.357 3.591 0.00 0.00 +0.135 A ATOM 38 C LIG 1 -5.767 -0.222 2.597 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 4 23 TORSDOF 7