REMARK Name = BDB021495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.509 0.460 -0.630 0.00 0.00 +0.125 A ATOM 2 C LIG 1 3.536 1.456 -0.713 0.00 0.00 +0.092 A ATOM 3 C LIG 1 2.180 1.159 -0.951 0.00 0.00 +0.136 A ATOM 4 O LIG 1 1.424 2.295 -0.970 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.013 2.177 -1.076 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -0.374 1.458 -2.357 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -0.510 0.030 -2.120 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.429 -0.707 -1.403 0.00 0.00 +0.250 C ATOM 9 O LIG 1 0.157 -1.843 -1.004 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.797 -0.175 -1.129 0.00 0.00 +0.079 A ATOM 11 C LIG 1 2.795 -1.173 -1.038 0.00 0.00 +0.020 A ATOM 12 C LIG 1 4.136 -0.864 -0.796 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 5.786 0.903 -0.397 0.00 0.00 -0.486 OA BRANCH 13 17 ATOM 14 C LIG 1 8.972 -0.440 2.536 0.00 0.00 +0.403 C ATOM 15 N LIG 1 8.193 -0.417 1.415 0.00 0.00 -0.260 N ATOM 16 C LIG 1 8.172 0.554 0.337 0.00 0.00 +0.157 C ATOM 17 C LIG 1 6.815 -0.059 -0.072 0.00 0.00 +0.208 C ATOM 18 C LIG 1 6.771 -0.700 1.333 0.00 0.00 +0.157 C ATOM 19 O LIG 1 8.681 -1.046 3.559 0.00 0.00 -0.226 OA BRANCH 14 21 ATOM 20 C LIG 1 10.971 0.293 3.499 0.00 0.00 +0.282 C ATOM 21 O LIG 1 10.109 0.286 2.362 0.00 0.00 -0.454 OA ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 -1.820 -0.581 -2.370 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -2.832 -0.339 -1.227 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.265 -0.675 0.044 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.667 -1.440 -0.089 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.118 -1.166 -1.486 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.187 -1.049 -0.473 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.628 0.344 -0.283 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.885 0.499 0.551 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.731 -0.593 0.804 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.897 -0.413 1.561 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.236 0.851 2.041 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.411 1.941 1.777 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.346 -1.964 0.316 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.242 1.767 1.035 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.328 -1.905 -0.829 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 8