REMARK Name = BDB020618 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.558 -1.461 0.076 0.00 0.00 +0.004 A ATOM 2 C LIG 1 -2.487 -0.102 -0.170 0.00 0.00 +0.100 A ATOM 3 N LIG 1 -1.242 0.219 -0.685 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -0.530 -0.974 -0.780 0.00 0.00 +0.048 A ATOM 5 C LIG 1 0.789 -0.928 -1.296 0.00 0.00 +0.039 A ATOM 6 C LIG 1 1.308 0.251 -1.685 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.540 1.507 -1.623 0.00 0.00 -0.017 A ATOM 8 C LIG 1 1.209 2.721 -2.217 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.718 1.481 -1.089 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -1.313 -2.007 -0.316 0.00 0.00 +0.036 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 -6.015 -3.323 1.769 0.00 0.00 +0.124 A ATOM 12 C LIG 1 -5.383 -3.903 0.662 0.00 0.00 +0.091 A ATOM 13 C LIG 1 -4.251 -3.317 0.080 0.00 0.00 +0.131 A ATOM 14 C LIG 1 -3.740 -2.121 0.624 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -4.378 -1.549 1.738 0.00 0.00 +0.016 A ATOM 16 C LIG 1 -5.508 -2.144 2.307 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 -7.806 -3.446 3.330 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -7.109 -4.007 2.224 0.00 0.00 -0.495 OA ENDBRANCH 11 18 BRANCH 13 19 ATOM 19 O LIG 1 -3.600 -3.834 -1.012 0.00 0.00 -0.494 OA ATOM 20 C LIG 1 -4.148 -4.992 -1.626 0.00 0.00 +0.277 C ENDBRANCH 13 19 ENDBRANCH 1 14 BRANCH 6 21 ATOM 21 C LIG 1 2.726 0.178 -2.142 0.00 0.00 +0.245 C ATOM 22 N LIG 1 3.589 0.866 -1.327 0.00 0.00 -0.307 N ATOM 23 H LIG 1 3.239 1.278 -0.470 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 3.062 -0.476 -3.121 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 5.023 0.817 -1.493 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 C LIG 1 5.593 -0.208 -0.557 0.00 0.00 +0.037 A ATOM 27 C LIG 1 5.643 0.223 0.879 0.00 0.00 +0.254 A ATOM 28 O LIG 1 5.199 1.306 1.251 0.00 0.00 -0.268 OA ATOM 29 N LIG 1 6.202 -0.660 1.768 0.00 0.00 -0.326 N ATOM 30 H LIG 1 6.225 -0.349 2.731 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 6.686 -1.899 1.432 0.00 0.00 +0.016 A ATOM 32 C LIG 1 7.247 -2.737 2.538 0.00 0.00 +0.063 C ATOM 33 C LIG 1 6.630 -2.293 0.152 0.00 0.00 +0.024 A ATOM 34 C LIG 1 6.075 -1.429 -0.882 0.00 0.00 -0.039 A ATOM 35 C LIG 1 6.092 -2.024 -2.263 0.00 0.00 +0.044 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 6 21 BRANCH 9 36 ATOM 36 C LIG 1 -1.612 2.720 -0.895 0.00 0.00 +0.101 C ATOM 37 C LIG 1 -2.332 2.987 -2.231 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 -0.886 3.894 -0.337 0.00 0.00 -0.290 NA ATOM 39 C LIG 1 -0.300 3.573 0.995 0.00 0.00 +0.113 C ATOM 40 C LIG 1 -0.082 4.820 1.865 0.00 0.00 +0.175 C ATOM 41 O LIG 1 -1.313 5.482 2.186 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 -2.296 5.368 1.148 0.00 0.00 +0.175 C ATOM 43 C LIG 1 -1.684 5.137 -0.242 0.00 0.00 +0.113 C ENDBRANCH 36 38 ENDBRANCH 9 36 TORSDOF 8