REMARK Name = BDB021586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.630 0.411 1.586 0.00 0.00 +0.057 C ATOM 2 C LIG 1 -0.401 0.553 0.076 0.00 0.00 +0.121 C ATOM 3 O LIG 1 0.991 0.501 -0.225 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 1.706 -0.655 -0.173 0.00 0.00 +0.137 A ATOM 5 C LIG 1 1.285 -1.980 -0.041 0.00 0.00 +0.079 A ATOM 6 C LIG 1 2.286 -2.979 0.006 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.647 -2.678 -0.089 0.00 0.00 +0.046 A ATOM 8 C LIG 1 4.059 -1.364 -0.245 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -0.109 -2.520 0.047 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.251 -3.682 0.442 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.224 -1.786 -0.333 0.00 0.00 -0.291 N ATOM 12 C LIG 1 3.088 -0.367 -0.280 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -1.192 -0.414 -0.811 0.00 0.00 +0.155 C ATOM 14 C LIG 1 -0.813 1.986 -0.318 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 O LIG 1 5.410 -1.191 -0.325 0.00 0.00 -0.489 OA BRANCH 15 16 ATOM 16 C LIG 1 5.928 0.093 -0.702 0.00 0.00 +0.176 C ATOM 17 C LIG 1 6.079 0.994 0.537 0.00 0.00 +0.063 C ATOM 18 C LIG 1 7.519 1.062 1.029 0.00 0.00 +0.111 C ATOM 19 N LIG 1 8.412 1.510 -0.030 0.00 0.00 -0.304 N ATOM 20 C LIG 1 9.462 2.368 0.220 0.00 0.00 +0.328 C ATOM 21 O LIG 1 10.226 2.819 -0.623 0.00 0.00 -0.279 OA ATOM 22 C LIG 1 8.156 1.059 -1.391 0.00 0.00 +0.111 C ATOM 23 C LIG 1 7.265 -0.171 -1.410 0.00 0.00 +0.063 C ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 24 ATOM 24 C LIG 1 -2.467 -2.535 -0.560 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -3.257 -2.893 0.714 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -4.251 -3.885 0.410 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -3.764 -4.692 0.161 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -3.923 -1.686 1.419 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -4.579 -0.679 0.556 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -4.971 0.490 1.371 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -5.737 1.538 0.594 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -6.428 1.197 -0.580 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -7.160 2.174 -1.268 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -7.226 3.478 -0.778 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.558 3.816 0.397 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.327 -0.202 -1.131 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -5.820 2.851 1.082 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.778 -1.214 -0.113 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 7