REMARK Name = BDB064533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.840 0.476 -0.479 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.197 1.458 -0.468 0.00 0.00 +0.004 A ATOM 3 C LIG 1 1.403 1.232 -1.185 0.00 0.00 -0.004 A ATOM 4 C LIG 1 2.393 2.247 -1.181 0.00 0.00 +0.009 A ATOM 5 C LIG 1 2.224 3.436 -0.470 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.061 3.644 0.252 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.544 0.004 -1.877 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.520 -0.947 -1.904 0.00 0.00 +0.016 A ATOM 9 C LIG 1 0.064 2.668 0.250 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -0.659 -0.710 -1.208 0.00 0.00 +0.024 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -7.843 -1.507 1.932 0.00 0.00 +0.133 C ATOM 12 N LIG 1 -6.680 -1.383 1.072 0.00 0.00 -0.292 N ATOM 13 C LIG 1 -6.191 -0.097 0.876 0.00 0.00 +0.304 C ATOM 14 N LIG 1 -4.916 0.008 0.344 0.00 0.00 -0.283 N ATOM 15 C LIG 1 -3.859 -0.984 0.603 0.00 0.00 +0.128 C ATOM 16 C LIG 1 -2.548 -0.344 1.100 0.00 0.00 +0.124 C ATOM 17 N LIG 1 -2.053 0.724 0.200 0.00 0.00 -0.326 N ATOM 18 C LIG 1 -3.073 1.339 -0.685 0.00 0.00 +0.124 C ATOM 19 C LIG 1 -4.447 1.354 -0.000 0.00 0.00 +0.128 C ATOM 20 O LIG 1 -6.848 0.900 1.178 0.00 0.00 -0.252 OA ATOM 21 C LIG 1 -6.601 -2.369 0.004 0.00 0.00 +0.133 C ENDBRANCH 1 17 BRANCH 7 22 ATOM 22 C LIG 1 2.769 -0.347 -2.627 0.00 0.00 +0.282 C ATOM 23 N LIG 1 3.996 -0.624 -2.005 0.00 0.00 -0.162 N ATOM 24 C LIG 1 5.209 -0.973 -2.578 0.00 0.00 +0.219 A ATOM 25 N LIG 1 6.114 -1.079 -1.641 0.00 0.00 -0.192 NA ATOM 26 C LIG 1 5.429 -0.829 -0.470 0.00 0.00 +0.202 A ATOM 27 N LIG 1 4.123 -0.564 -0.653 0.00 0.00 -0.139 NA ATOM 28 O LIG 1 2.700 -0.422 -3.855 0.00 0.00 -0.265 OA BRANCH 26 29 ATOM 29 C LIG 1 6.079 -0.847 0.851 0.00 0.00 +0.110 A ATOM 30 N LIG 1 7.404 -1.146 0.886 0.00 0.00 -0.252 NA ATOM 31 C LIG 1 8.007 -1.162 2.094 0.00 0.00 +0.111 A ATOM 32 C LIG 1 7.355 -0.892 3.285 0.00 0.00 +0.020 A ATOM 33 C LIG 1 6.001 -0.586 3.238 0.00 0.00 +0.004 A ATOM 34 C LIG 1 5.351 -0.562 2.006 0.00 0.00 +0.031 A ENDBRANCH 26 29 BRANCH 24 35 ATOM 35 N LIG 1 5.399 -1.162 -3.897 0.00 0.00 -0.327 N ATOM 36 H LIG 1 4.696 -0.843 -4.565 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 6.354 -1.163 -4.241 0.00 0.00 +0.145 HD ENDBRANCH 24 35 ENDBRANCH 7 22 TORSDOF 4