REMARK Name = BDB063184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.332 -0.675 1.225 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.086 0.399 1.679 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -2.452 0.466 1.377 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -3.104 -0.532 0.631 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.322 -1.623 0.228 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.954 -1.700 0.524 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.462 -0.433 0.364 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -5.261 -1.512 -0.257 0.00 0.00 +0.085 C ATOM 9 C LIG 1 -6.560 -0.794 -0.673 0.00 0.00 +0.032 C ATOM 10 C LIG 1 -6.063 0.592 -1.076 0.00 0.00 +0.038 C ATOM 11 C LIG 1 -5.003 0.890 -0.004 0.00 0.00 +0.113 C BRANCH 10 12 ATOM 12 C LIG 1 -7.144 1.639 -1.206 0.00 0.00 -0.043 A ATOM 13 C LIG 1 -7.315 2.312 -2.425 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -8.303 3.289 -2.570 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -9.134 3.606 -1.499 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.977 2.947 -0.282 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -7.989 1.971 -0.136 0.00 0.00 +0.004 A ENDBRANCH 10 12 BRANCH 8 18 ATOM 18 C LIG 1 -5.540 -2.643 0.733 0.00 0.00 +0.142 C BRANCH 18 19 ATOM 19 C LIG 1 -6.224 -3.792 0.054 0.00 0.00 +0.306 C ATOM 20 O LIG 1 -6.335 -3.984 -1.145 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 -6.724 -4.680 0.936 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 -7.122 -5.382 0.379 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 O LIG 1 0.995 -0.833 1.508 0.00 0.00 -0.488 OA BRANCH 23 28 ATOM 24 N LIG 1 4.706 0.374 0.493 0.00 0.00 -0.327 N ATOM 25 C LIG 1 4.154 1.129 1.624 0.00 0.00 +0.112 C ATOM 26 C LIG 1 2.925 0.416 2.195 0.00 0.00 +0.044 C ATOM 27 C LIG 1 2.388 1.147 3.427 0.00 0.00 +0.013 C ATOM 28 C LIG 1 1.833 0.275 1.118 0.00 0.00 +0.179 C ATOM 29 C LIG 1 2.413 -0.007 -0.274 0.00 0.00 +0.064 C ATOM 30 C LIG 1 3.829 -0.568 -0.206 0.00 0.00 +0.109 C BRANCH 24 33 ATOM 31 C LIG 1 8.118 -0.566 -0.730 0.00 0.00 +0.122 A ATOM 32 C LIG 1 6.744 -0.607 -0.436 0.00 0.00 +0.071 A ATOM 33 C LIG 1 6.071 0.444 0.215 0.00 0.00 +0.069 A ATOM 34 C LIG 1 6.866 1.557 0.554 0.00 0.00 +0.145 A ATOM 35 F LIG 1 6.323 2.632 1.149 0.00 0.00 -0.204 F ATOM 36 C LIG 1 8.230 1.618 0.267 0.00 0.00 +0.044 A ATOM 37 C LIG 1 8.860 0.557 -0.379 0.00 0.00 +0.048 A BRANCH 31 38 ATOM 38 O LIG 1 8.590 -1.681 -1.366 0.00 0.00 -0.492 OA BRANCH 38 40 ATOM 39 C LIG 1 10.383 -1.195 -2.925 0.00 0.00 +0.048 C ATOM 40 C LIG 1 9.993 -1.808 -1.591 0.00 0.00 +0.225 C ENDBRANCH 38 40 ENDBRANCH 31 38 ENDBRANCH 24 33 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 10