REMARK Name = BDB024151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.065 1.200 -0.497 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.287 1.919 -1.598 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.459 3.076 -1.316 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.187 3.712 -2.321 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.177 3.203 -3.618 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.435 2.062 -3.914 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.296 1.423 -2.912 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.118 0.627 0.614 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.010 0.012 0.102 0.00 0.00 -0.267 N ATOM 10 H LIG 1 -1.255 0.108 -0.873 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.395 0.655 1.812 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -1.960 -0.658 0.828 0.00 0.00 +0.147 A ATOM 13 N LIG 1 -3.034 -1.126 0.188 0.00 0.00 -0.156 NA ATOM 14 N LIG 1 -3.769 -1.716 1.145 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -3.183 -1.656 2.378 0.00 0.00 +0.110 A ATOM 16 C LIG 1 -2.006 -0.967 2.203 0.00 0.00 +0.065 A BRANCH 14 17 ATOM 17 C LIG 1 -5.074 -2.301 0.842 0.00 0.00 +0.111 C ATOM 18 C LIG 1 -5.071 -3.180 -0.417 0.00 0.00 +0.055 C ATOM 19 C LIG 1 -5.241 -2.371 -1.696 0.00 0.00 +0.162 C ATOM 20 O LIG 1 -6.379 -1.515 -1.600 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -6.221 -0.542 -0.569 0.00 0.00 +0.162 C ATOM 22 C LIG 1 -6.168 -1.227 0.787 0.00 0.00 +0.055 C ENDBRANCH 14 17 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 N LIG 1 2.087 2.124 0.044 0.00 0.00 -0.302 NA ATOM 24 H LIG 1 2.480 2.669 -0.724 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 3.175 1.467 0.775 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 C LIG 1 4.201 0.767 -0.132 0.00 0.00 +0.050 C BRANCH 26 30 ATOM 27 C LIG 1 7.499 -0.831 2.163 0.00 0.00 +0.052 A ATOM 28 C LIG 1 6.249 -1.456 2.201 0.00 0.00 +0.019 A ATOM 29 C LIG 1 5.187 -0.943 1.451 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.360 0.203 0.658 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.616 0.824 0.624 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.680 0.309 1.371 0.00 0.00 +0.019 A BRANCH 27 34 ATOM 33 N LIG 1 9.471 -1.775 3.558 0.00 0.00 -0.191 NA ATOM 34 C LIG 1 8.588 -1.353 2.934 0.00 0.00 +0.099 C ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9