REMARK Name = BDB000860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.284 0.276 1.058 0.00 0.00 +0.159 C ATOM 2 C LIG 1 0.215 0.653 0.007 0.00 0.00 +0.237 C ATOM 3 O LIG 1 -0.024 -0.086 -0.953 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -0.387 1.908 0.158 0.00 0.00 -0.285 N ATOM 5 C LIG 1 0.264 2.975 -0.607 0.00 0.00 +0.077 C ATOM 6 C LIG 1 -0.400 2.901 -1.994 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -1.762 2.240 -1.755 0.00 0.00 +0.034 C ATOM 8 C LIG 1 1.794 2.934 -0.698 0.00 0.00 +0.022 C ATOM 9 C LIG 1 2.552 3.117 0.623 0.00 0.00 +0.002 C ATOM 10 C LIG 1 1.824 2.748 1.910 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -1.796 1.962 -0.252 0.00 0.00 +0.162 C ATOM 12 C LIG 1 1.545 1.269 2.199 0.00 0.00 +0.032 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.469 -0.914 0.901 0.00 0.00 +0.231 C ATOM 14 N LIG 1 2.486 -0.129 0.322 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.343 -0.267 -0.673 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.477 -1.186 2.098 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.535 -1.405 -0.115 0.00 0.00 +0.143 C BRANCH 17 18 ATOM 18 N LIG 1 5.889 -1.555 0.464 0.00 0.00 -0.287 NA ATOM 19 C LIG 1 6.426 -0.310 1.049 0.00 0.00 +0.113 C ATOM 20 C LIG 1 6.745 -0.412 2.551 0.00 0.00 +0.175 C ATOM 21 O LIG 1 7.665 -1.467 2.851 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 7.463 -2.635 2.045 0.00 0.00 +0.175 C ATOM 23 C LIG 1 6.082 -2.703 1.365 0.00 0.00 +0.113 C ENDBRANCH 17 18 BRANCH 17 25 ATOM 24 C LIG 1 4.879 -3.098 -2.002 0.00 0.00 +0.006 C ATOM 25 C LIG 1 4.001 -2.657 -0.838 0.00 0.00 +0.025 C ENDBRANCH 17 25 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 11 26 ATOM 26 C LIG 1 -2.674 0.795 0.254 0.00 0.00 +0.234 C ATOM 27 N LIG 1 -3.817 0.570 -0.474 0.00 0.00 -0.303 N ATOM 28 H LIG 1 -4.066 1.176 -1.241 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -2.405 0.172 1.281 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 -4.811 -0.418 -0.081 0.00 0.00 +0.134 C BRANCH 30 31 ATOM 31 C LIG 1 -6.025 0.352 0.434 0.00 0.00 -0.023 A ATOM 32 C LIG 1 -6.896 1.029 -0.439 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -7.981 1.753 0.058 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.203 1.821 1.432 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.340 1.170 2.310 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.255 0.444 1.816 0.00 0.00 +0.006 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.099 -1.415 -1.209 0.00 0.00 -0.023 A ATOM 38 C LIG 1 -4.145 -1.683 -2.208 0.00 0.00 +0.006 A ATOM 39 C LIG 1 -4.394 -2.624 -3.211 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.593 -3.331 -3.223 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.537 -3.109 -2.225 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -6.287 -2.169 -1.221 0.00 0.00 +0.006 A ENDBRANCH 30 37 ENDBRANCH 27 30 ENDBRANCH 11 26 TORSDOF 8