REMARK Name = BDB028435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.020 -0.140 0.387 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -1.031 0.774 0.224 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -1.401 1.623 1.272 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -0.732 1.526 2.492 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.128 2.402 3.605 0.00 0.00 +0.272 A ATOM 6 N LIG 1 -2.156 3.275 3.350 0.00 0.00 -0.242 N ATOM 7 H LIG 1 -2.434 3.900 4.101 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 -2.813 3.415 2.168 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 -0.565 2.350 4.692 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 0.307 0.604 2.669 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -2.470 2.651 1.169 0.00 0.00 +0.086 A ATOM 12 C LIG 1 0.686 -0.225 1.614 0.00 0.00 +0.009 A ENDROOT BRANCH 1 18 ATOM 13 C LIG 1 1.654 -0.898 -1.369 0.00 0.00 +0.078 A ATOM 14 N LIG 1 1.571 -1.820 -2.393 0.00 0.00 -0.266 N ATOM 15 C LIG 1 2.571 -2.109 -3.397 0.00 0.00 +0.173 C ATOM 16 N LIG 1 0.393 -2.469 -2.444 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -0.314 -1.928 -1.450 0.00 0.00 +0.143 A ATOM 18 C LIG 1 0.423 -0.967 -0.729 0.00 0.00 +0.027 A BRANCH 13 21 ATOM 19 C LIG 1 5.141 0.128 -0.361 0.00 0.00 -0.014 A ATOM 20 C LIG 1 3.992 -0.635 -0.617 0.00 0.00 +0.020 A ATOM 21 C LIG 1 2.820 -0.043 -1.125 0.00 0.00 +0.019 A ATOM 22 C LIG 1 2.801 1.343 -1.365 0.00 0.00 +0.061 A ATOM 23 C LIG 1 3.949 2.107 -1.111 0.00 0.00 +0.020 A ATOM 24 C LIG 1 5.109 1.503 -0.618 0.00 0.00 +0.010 A BRANCH 19 29 ATOM 25 C LIG 1 8.263 -2.817 2.136 0.00 0.00 +0.172 C ATOM 26 N LIG 1 7.713 -1.802 1.273 0.00 0.00 -0.274 N ATOM 27 N LIG 1 8.541 -0.949 0.643 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 7.713 -0.146 -0.029 0.00 0.00 +0.142 A ATOM 29 C LIG 1 6.351 -0.486 0.157 0.00 0.00 +0.020 A ATOM 30 C LIG 1 6.393 -1.573 1.007 0.00 0.00 +0.116 A ENDBRANCH 19 29 BRANCH 22 31 ATOM 31 C LIG 1 1.635 2.017 -1.865 0.00 0.00 +0.100 C ATOM 32 N LIG 1 0.703 2.592 -2.252 0.00 0.00 -0.191 NA ENDBRANCH 22 31 ENDBRANCH 13 21 ENDBRANCH 1 18 BRANCH 11 33 ATOM 33 C LIG 1 -3.231 2.855 -0.140 0.00 0.00 +0.165 C BRANCH 33 34 ATOM 34 N LIG 1 -4.548 2.280 0.011 0.00 0.00 -0.275 N ATOM 35 H LIG 1 -5.222 2.749 0.601 0.00 0.00 +0.152 HD ATOM 36 C LIG 1 -4.837 0.993 -0.313 0.00 0.00 +0.401 C ATOM 37 O LIG 1 -4.062 0.218 -0.850 0.00 0.00 -0.226 OA BRANCH 36 38 ATOM 38 O LIG 1 -6.101 0.723 0.077 0.00 0.00 -0.445 OA BRANCH 38 39 ATOM 39 C LIG 1 -6.679 -0.594 -0.123 0.00 0.00 +0.107 C ATOM 40 C LIG 1 -8.118 -0.468 0.399 0.00 0.00 +0.055 C ATOM 41 C LIG 1 -5.941 -1.648 0.709 0.00 0.00 +0.055 C ATOM 42 C LIG 1 -6.727 -0.967 -1.609 0.00 0.00 +0.055 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 33 34 ENDBRANCH 11 33 TORSDOF 8