REMARK Name = BDB022648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.611 -0.832 -2.619 0.00 0.00 +0.100 C ATOM 2 C LIG 1 -1.474 -1.258 -3.810 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 3.116 -0.058 -2.214 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.792 -0.445 -1.966 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.804 -0.398 -2.971 0.00 0.00 -0.026 A ATOM 6 C LIG 1 1.170 0.079 -4.235 0.00 0.00 +0.005 A ATOM 7 C LIG 1 2.486 0.467 -4.491 0.00 0.00 +0.002 A ATOM 8 C LIG 1 3.455 0.394 -3.487 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 5.380 0.136 -1.147 0.00 0.00 +0.222 C ATOM 10 N LIG 1 4.027 -0.161 -1.141 0.00 0.00 -0.285 N ATOM 11 H LIG 1 3.633 -0.487 -0.267 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 6.023 0.570 -2.097 0.00 0.00 -0.275 OA BRANCH 9 16 ATOM 13 C LIG 1 9.188 0.916 2.000 0.00 0.00 +0.239 C ATOM 14 N LIG 1 8.175 0.129 1.473 0.00 0.00 -0.297 N ATOM 15 C LIG 1 7.488 0.373 0.197 0.00 0.00 +0.120 C ATOM 16 C LIG 1 6.041 -0.136 0.204 0.00 0.00 +0.093 C ATOM 17 C LIG 1 5.961 -1.628 0.569 0.00 0.00 +0.016 C ATOM 18 C LIG 1 7.154 -2.113 1.393 0.00 0.00 +0.020 C ATOM 19 C LIG 1 7.719 -1.006 2.272 0.00 0.00 +0.108 C ATOM 20 O LIG 1 9.610 0.778 3.147 0.00 0.00 -0.271 OA BRANCH 13 22 ATOM 21 C LIG 1 10.504 2.950 1.608 0.00 0.00 +0.013 C ATOM 22 C LIG 1 9.779 1.944 1.101 0.00 0.00 +0.060 C ENDBRANCH 13 22 ENDBRANCH 9 16 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 N LIG 1 -1.251 0.261 -1.918 0.00 0.00 -0.307 N ATOM 24 H LIG 1 -1.216 1.169 -2.382 0.00 0.00 +0.149 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.331 0.093 -1.076 0.00 0.00 +0.222 A ATOM 26 N LIG 1 -3.131 1.212 -0.817 0.00 0.00 -0.183 N ATOM 27 C LIG 1 -4.221 1.124 -0.004 0.00 0.00 +0.166 A ATOM 28 C LIG 1 -4.786 2.384 0.002 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -3.946 3.141 -0.861 0.00 0.00 +0.141 A ATOM 30 N LIG 1 -4.527 -0.059 0.582 0.00 0.00 -0.195 NA ATOM 31 C LIG 1 -3.758 -1.082 0.318 0.00 0.00 +0.220 A ATOM 32 N LIG 1 -2.934 2.430 -1.372 0.00 0.00 -0.170 NA ATOM 33 N LIG 1 -2.658 -1.037 -0.517 0.00 0.00 -0.181 NA BRANCH 28 34 ATOM 34 C LIG 1 -6.011 2.829 0.741 0.00 0.00 +0.018 C ATOM 35 C LIG 1 -7.165 3.127 -0.220 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -5.732 4.036 1.638 0.00 0.00 +0.012 C ENDBRANCH 28 34 BRANCH 31 37 ATOM 37 N LIG 1 -3.989 -2.314 0.859 0.00 0.00 -0.310 N ATOM 38 H LIG 1 -3.438 -3.041 0.423 0.00 0.00 +0.149 HD BRANCH 37 39 ATOM 39 C LIG 1 -5.203 -2.750 1.530 0.00 0.00 +0.077 C ATOM 40 C LIG 1 -6.430 -2.637 0.630 0.00 0.00 +0.050 C ATOM 41 C LIG 1 -7.677 -3.135 1.356 0.00 0.00 +0.161 C ATOM 42 O LIG 1 -7.603 -3.003 2.777 0.00 0.00 -0.380 OA ATOM 43 C LIG 1 -6.876 -1.848 3.186 0.00 0.00 +0.161 C ATOM 44 C LIG 1 -5.399 -2.042 2.875 0.00 0.00 +0.050 C ENDBRANCH 37 39 ENDBRANCH 31 37 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9