REMARK Name = BDB005108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.583 -1.061 0.188 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.264 -0.979 0.657 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.503 0.183 0.469 0.00 0.00 -0.029 A ATOM 4 C LIG 1 0.060 1.261 -0.225 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.359 1.175 -0.721 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.114 0.016 -0.522 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.586 -2.627 0.287 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.264 -2.269 0.422 0.00 0.00 -0.281 N ATOM 9 H LIG 1 1.688 -3.074 0.643 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.889 -3.817 0.209 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.800 0.192 0.408 0.00 0.00 +0.162 A ATOM 12 C LIG 1 5.743 0.301 1.337 0.00 0.00 +0.162 A ATOM 13 C LIG 1 4.694 -0.624 1.306 0.00 0.00 +0.062 A ATOM 14 C LIG 1 4.674 -1.627 0.329 0.00 0.00 +0.041 A ATOM 15 C LIG 1 5.729 -1.748 -0.578 0.00 0.00 +0.017 A ATOM 16 C LIG 1 6.786 -0.836 -0.542 0.00 0.00 +0.050 A BRANCH 11 18 ATOM 17 C LIG 1 8.932 0.988 -0.321 0.00 0.00 +0.277 C ATOM 18 O LIG 1 7.789 1.139 0.508 0.00 0.00 -0.491 OA ENDBRANCH 11 18 BRANCH 12 19 ATOM 19 O LIG 1 5.836 1.333 2.239 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 4.734 1.550 3.109 0.00 0.00 +0.277 C ENDBRANCH 12 19 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -1.924 0.266 0.981 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -2.833 0.218 -0.157 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.644 -0.592 -0.741 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -4.205 0.245 0.170 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -5.165 0.204 -0.863 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -6.518 0.220 -0.470 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -7.493 0.164 -1.488 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -7.131 0.107 -2.849 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -5.798 0.110 -3.224 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -6.846 0.289 0.841 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.853 0.353 1.735 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.822 0.161 -2.238 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -4.549 0.335 1.464 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -8.966 0.163 -1.216 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -9.787 0.111 -2.125 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -9.389 0.223 0.078 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -10.380 0.235 0.271 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -8.722 0.279 0.843 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 8