REMARK Name = BDB034000 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.177 -1.172 -1.169 0.00 0.00 +0.165 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 0.254 -3.204 0.217 0.00 0.00 +0.213 C ATOM 3 N LIG 1 0.666 -2.527 -0.912 0.00 0.00 -0.304 N ATOM 4 H LIG 1 0.857 -3.095 -1.731 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -0.389 -2.673 1.117 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 0.218 -5.392 1.465 0.00 0.00 +0.013 C ATOM 7 C LIG 1 0.688 -4.657 0.225 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 -1.178 -1.300 -1.884 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.067 -0.263 -1.837 0.00 0.00 -0.309 N ATOM 10 H LIG 1 -2.952 -0.528 -2.256 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -1.456 -2.281 -2.579 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.156 0.796 -0.824 0.00 0.00 +0.090 C BRANCH 12 13 ATOM 13 C LIG 1 -2.826 2.061 -1.438 0.00 0.00 +0.011 C ATOM 14 C LIG 1 -4.199 1.825 -2.105 0.00 0.00 +0.005 C ATOM 15 C LIG 1 -5.064 3.086 -2.198 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -4.219 4.343 -2.343 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -3.291 4.542 -1.144 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -2.894 3.235 -0.451 0.00 0.00 +0.005 C ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -2.767 0.274 0.515 0.00 0.00 +0.107 C BRANCH 19 20 ATOM 20 N LIG 1 -4.091 -0.354 0.361 0.00 0.00 -0.296 NA ATOM 21 C LIG 1 -5.083 0.115 1.352 0.00 0.00 +0.112 C ATOM 22 C LIG 1 -5.361 -0.892 2.480 0.00 0.00 +0.175 C ATOM 23 O LIG 1 -5.860 -2.145 1.993 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -5.361 -2.482 0.690 0.00 0.00 +0.175 C ATOM 25 C LIG 1 -4.001 -1.836 0.383 0.00 0.00 +0.112 C ENDBRANCH 19 20 ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 C LIG 1 1.116 -0.371 -2.076 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 2.447 -0.124 -1.436 0.00 0.00 +0.082 A ATOM 28 S LIG 1 2.639 1.127 -0.276 0.00 0.00 -0.072 S ATOM 29 C LIG 1 4.300 0.707 -0.097 0.00 0.00 +0.039 A ATOM 30 C LIG 1 4.593 -0.353 -0.956 0.00 0.00 +0.078 A ATOM 31 C LIG 1 5.906 -0.859 -0.980 0.00 0.00 +0.029 A ATOM 32 C LIG 1 6.886 -0.299 -0.151 0.00 0.00 +0.006 A ATOM 33 C LIG 1 6.585 0.763 0.711 0.00 0.00 -0.044 A ATOM 34 C LIG 1 5.275 1.276 0.742 0.00 0.00 +0.021 A ATOM 35 N LIG 1 3.531 -0.812 -1.718 0.00 0.00 -0.244 NA BRANCH 33 36 ATOM 36 C LIG 1 7.645 1.373 1.616 0.00 0.00 +0.013 C ATOM 37 C LIG 1 8.200 0.346 2.606 0.00 0.00 +0.012 C ATOM 38 C LIG 1 8.774 2.013 0.806 0.00 0.00 +0.012 C ENDBRANCH 33 36 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 10