REMARK Name = BDB036304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.427 1.089 0.313 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.217 1.611 1.585 0.00 0.00 -0.040 A ATOM 3 C LIG 1 1.048 2.586 2.370 0.00 0.00 +0.036 C ATOM 4 C LIG 1 0.492 2.401 3.792 0.00 0.00 +0.009 C ATOM 5 C LIG 1 -0.980 2.010 3.625 0.00 0.00 +0.036 C ATOM 6 C LIG 1 -0.953 1.313 2.298 0.00 0.00 -0.044 A ATOM 7 C LIG 1 -1.943 0.501 1.771 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -1.781 -0.018 0.480 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -0.612 0.312 -0.241 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 1.705 1.279 -0.465 0.00 0.00 +0.144 C BRANCH 10 13 ATOM 11 C LIG 1 5.048 0.407 0.153 0.00 0.00 +0.009 C ATOM 12 C LIG 1 3.632 0.183 0.724 0.00 0.00 +0.113 C ATOM 13 N LIG 1 2.683 0.164 -0.394 0.00 0.00 -0.172 NA ATOM 14 S LIG 1 2.191 -1.350 -0.954 0.00 0.00 +0.061 S ATOM 15 O LIG 1 1.692 -1.178 -2.308 0.00 0.00 -0.153 OA ATOM 16 O LIG 1 1.350 -1.938 0.084 0.00 0.00 -0.153 OA ATOM 17 C LIG 1 3.665 -2.354 -1.046 0.00 0.00 +0.109 A ATOM 18 C LIG 1 4.968 -1.825 -1.105 0.00 0.00 -0.021 A ATOM 19 C LIG 1 6.050 -2.727 -1.112 0.00 0.00 +0.005 A ATOM 20 C LIG 1 5.842 -4.106 -1.060 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.548 -4.618 -1.004 0.00 0.00 +0.002 A ATOM 22 C LIG 1 3.459 -3.745 -0.995 0.00 0.00 +0.029 A ATOM 23 C LIG 1 5.267 -0.349 -1.177 0.00 0.00 +0.042 C BRANCH 11 25 ATOM 24 C LIG 1 6.740 2.272 -0.409 0.00 0.00 +0.004 C ATOM 25 C LIG 1 5.306 1.922 -0.013 0.00 0.00 +0.002 C ENDBRANCH 11 25 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 8 26 ATOM 26 C LIG 1 -2.798 -0.974 -0.150 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -4.185 -0.324 -0.313 0.00 0.00 -0.034 A ATOM 28 C LIG 1 -4.557 0.295 -1.546 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -3.651 0.299 -2.751 0.00 0.00 +0.046 C ATOM 30 C LIG 1 -5.834 0.898 -1.617 0.00 0.00 +0.116 A ATOM 31 N LIG 1 -6.442 1.554 -2.657 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 -7.636 1.958 -2.260 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 -7.784 1.563 -0.980 0.00 0.00 -0.247 N ATOM 34 C LIG 1 -9.009 1.872 -0.287 0.00 0.00 +0.175 C ATOM 35 C LIG 1 -6.683 0.895 -0.519 0.00 0.00 +0.089 A ATOM 36 C LIG 1 -6.348 0.307 0.696 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -5.092 -0.306 0.770 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 -2.793 -2.332 0.596 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 -2.146 -3.401 -0.243 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -2.788 -4.266 -0.830 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -0.808 -3.347 -0.313 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -0.328 -2.622 0.153 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 8 26 TORSDOF 8