REMARK Name = BDB012471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.872 0.192 -1.182 0.00 0.00 -0.044 A ATOM 2 C LIG 1 2.930 1.146 -0.757 0.00 0.00 +0.033 A ATOM 3 C LIG 1 2.088 0.844 0.324 0.00 0.00 +0.091 A ATOM 4 N LIG 1 1.109 1.607 0.900 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 0.620 0.894 1.888 0.00 0.00 +0.204 A ATOM 6 N LIG 1 -0.337 1.299 2.790 0.00 0.00 -0.252 N ATOM 7 H LIG 1 -0.331 0.924 3.726 0.00 0.00 +0.158 HD ATOM 8 C LIG 1 -1.187 2.366 2.600 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.745 2.905 3.554 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.605 2.717 1.228 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -2.622 1.955 0.636 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -2.996 2.173 -0.696 0.00 0.00 -0.025 A ATOM 13 C LIG 1 -2.387 3.240 -1.382 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -1.414 4.038 -0.767 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.076 1.360 -1.389 0.00 0.00 +0.182 C ATOM 16 N LIG 1 -4.238 -0.049 -1.011 0.00 0.00 -0.225 N ATOM 17 N LIG 1 -3.150 -0.723 -0.503 0.00 0.00 -0.168 NA ATOM 18 C LIG 1 -3.272 -1.979 -0.202 0.00 0.00 +0.092 A ATOM 19 C LIG 1 -4.503 -2.761 -0.423 0.00 0.00 +0.035 A ATOM 20 C LIG 1 -5.527 -2.114 -0.982 0.00 0.00 +0.074 A ATOM 21 C LIG 1 -2.116 -2.661 0.452 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -1.282 -1.873 1.258 0.00 0.00 +0.015 A ATOM 23 C LIG 1 -0.138 -2.399 1.877 0.00 0.00 -0.027 A ATOM 24 C LIG 1 0.135 -3.762 1.710 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -0.699 -4.560 0.918 0.00 0.00 +0.001 A ATOM 26 C LIG 1 0.772 -1.507 2.696 0.00 0.00 +0.160 C ATOM 27 C LIG 1 -1.818 -4.013 0.282 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -5.428 -0.683 -1.345 0.00 0.00 +0.268 A ATOM 29 O LIG 1 -6.385 -0.145 -1.897 0.00 0.00 -0.266 OA ATOM 30 C LIG 1 -1.018 3.778 0.544 0.00 0.00 +0.013 A ATOM 31 N LIG 1 1.219 -0.352 1.928 0.00 0.00 -0.307 N ATOM 32 C LIG 1 2.200 -0.387 0.958 0.00 0.00 +0.070 A ATOM 33 C LIG 1 3.123 -1.360 0.558 0.00 0.00 +0.028 A ATOM 34 C LIG 1 3.959 -1.041 -0.519 0.00 0.00 +0.006 A ENDROOT BRANCH 1 35 ATOM 35 C LIG 1 4.801 0.507 -2.331 0.00 0.00 +0.050 C BRANCH 35 36 ATOM 36 C LIG 1 6.080 1.199 -1.849 0.00 0.00 +0.082 C BRANCH 36 37 ATOM 37 N LIG 1 6.975 1.494 -2.968 0.00 0.00 -0.330 NA ATOM 38 H LIG 1 6.515 2.138 -3.611 0.00 0.00 +0.118 HD ATOM 39 H LIG 1 7.796 1.986 -2.616 0.00 0.00 +0.118 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 3