REMARK Name = BDB053525 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.370 -0.528 -0.269 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -4.191 0.819 -0.686 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -5.139 1.950 -0.901 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -4.592 2.940 -1.963 0.00 0.00 +0.043 C ATOM 5 C LIG 1 -3.100 3.163 -1.892 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -2.239 2.187 -1.414 0.00 0.00 +0.097 A ATOM 7 N LIG 1 -0.906 2.305 -1.362 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.388 3.442 -1.852 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -1.134 4.433 -2.374 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -2.473 4.278 -2.380 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -2.837 0.962 -0.920 0.00 0.00 +0.091 A ATOM 12 N LIG 1 -2.284 -0.261 -0.680 0.00 0.00 -0.264 N ATOM 13 C LIG 1 -0.908 -0.665 -0.852 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -3.188 -1.173 -0.258 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 -6.410 -0.395 0.950 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -5.843 0.207 1.532 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -5.626 -1.196 0.123 0.00 0.00 +0.269 C ATOM 18 O LIG 1 -5.900 -2.342 -0.216 0.00 0.00 -0.268 OA BRANCH 15 20 ATOM 19 C LIG 1 -8.708 -1.245 0.679 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -7.631 -0.845 1.504 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -7.786 -0.827 2.912 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -8.990 -1.288 3.474 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -10.033 -1.730 2.668 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -9.897 -1.697 1.284 0.00 0.00 +0.005 A BRANCH 19 26 ATOM 25 C LIG 1 -9.271 0.276 -1.235 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -8.729 -1.088 -0.828 0.00 0.00 +0.033 C ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 C LIG 1 -6.689 -0.406 3.869 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -5.658 -1.504 4.083 0.00 0.00 +0.009 C ENDBRANCH 21 27 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 8 29 ATOM 29 N LIG 1 0.988 3.645 -1.901 0.00 0.00 -0.281 N ATOM 30 H LIG 1 1.206 4.350 -2.595 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 2.061 2.791 -1.589 0.00 0.00 +0.076 A ATOM 32 C LIG 1 3.233 2.847 -2.379 0.00 0.00 +0.142 A ATOM 33 C LIG 1 4.300 1.984 -2.115 0.00 0.00 +0.060 A ATOM 34 C LIG 1 4.215 1.085 -1.048 0.00 0.00 +0.040 A ATOM 35 C LIG 1 3.065 1.018 -0.260 0.00 0.00 +0.015 A ATOM 36 C LIG 1 1.996 1.871 -0.533 0.00 0.00 +0.028 A BRANCH 34 37 ATOM 37 C LIG 1 5.343 0.161 -0.802 0.00 0.00 +0.247 C ATOM 38 N LIG 1 5.883 0.107 0.474 0.00 0.00 -0.293 N ATOM 39 C LIG 1 6.959 -0.844 0.794 0.00 0.00 +0.090 C ATOM 40 C LIG 1 7.462 -0.373 2.171 0.00 0.00 +0.025 C ATOM 41 C LIG 1 7.112 1.109 2.198 0.00 0.00 +0.021 C ATOM 42 C LIG 1 5.775 1.154 1.479 0.00 0.00 +0.108 C ATOM 43 O LIG 1 5.753 -0.515 -1.742 0.00 0.00 -0.270 OA BRANCH 39 44 ATOM 44 C LIG 1 6.458 -2.316 0.804 0.00 0.00 +0.106 C BRANCH 44 45 ATOM 45 N LIG 1 7.423 -3.412 0.710 0.00 0.00 -0.301 NA ATOM 46 C LIG 1 8.555 -3.394 1.621 0.00 0.00 +0.084 C ATOM 47 C LIG 1 9.372 -4.568 1.108 0.00 0.00 +0.017 C ATOM 48 C LIG 1 9.133 -4.571 -0.399 0.00 0.00 +0.017 C ATOM 49 C LIG 1 7.986 -3.591 -0.627 0.00 0.00 +0.084 C ENDBRANCH 44 45 ENDBRANCH 39 44 ENDBRANCH 34 37 BRANCH 32 50 ATOM 50 O LIG 1 3.211 3.785 -3.387 0.00 0.00 -0.493 OA ATOM 51 C LIG 1 4.340 3.832 -4.252 0.00 0.00 +0.277 C ENDBRANCH 32 50 ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 10