REMARK Name = BDB059947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.937 -1.742 -0.182 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -2.804 -3.026 -0.704 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.714 -3.819 -0.337 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.737 -3.321 0.537 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -0.864 -2.011 1.020 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.952 -1.218 0.649 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -3.984 -0.974 -0.597 0.00 0.00 -0.477 OA BRANCH 7 9 ATOM 8 C LIG 1 -5.561 -2.247 0.869 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -5.137 -0.893 0.276 0.00 0.00 +0.180 C ATOM 10 C LIG 1 -4.885 0.143 1.381 0.00 0.00 +0.065 C BRANCH 9 11 ATOM 11 C LIG 1 -6.293 -0.373 -0.636 0.00 0.00 +0.257 C ATOM 12 N LIG 1 -7.520 -0.211 -0.015 0.00 0.00 -0.308 N ATOM 13 H LIG 1 -7.580 -0.264 0.991 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 -6.148 -0.125 -1.833 0.00 0.00 -0.271 OA BRANCH 12 15 ATOM 15 C LIG 1 -8.639 0.406 -0.694 0.00 0.00 +0.139 C BRANCH 15 16 ATOM 16 C LIG 1 -8.786 1.842 -0.262 0.00 0.00 -0.030 A ATOM 17 C LIG 1 -9.719 2.206 0.720 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -9.829 3.536 1.131 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -9.005 4.511 0.572 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.069 4.159 -0.399 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -7.958 2.831 -0.812 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 9 11 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 0.451 -4.173 0.924 0.00 0.00 +0.076 C BRANCH 22 23 ATOM 23 C LIG 1 1.741 -3.753 0.214 0.00 0.00 +0.233 C BRANCH 23 24 ATOM 24 O LIG 1 2.294 -2.617 0.884 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 3.450 -2.092 0.380 0.00 0.00 +0.121 A ATOM 26 C LIG 1 4.146 -2.553 -0.735 0.00 0.00 +0.047 A ATOM 27 C LIG 1 5.325 -1.914 -1.141 0.00 0.00 +0.027 A ATOM 28 C LIG 1 5.823 -0.807 -0.444 0.00 0.00 +0.035 A ATOM 29 C LIG 1 5.126 -0.354 0.676 0.00 0.00 +0.027 A ATOM 30 C LIG 1 3.947 -0.993 1.080 0.00 0.00 +0.047 A BRANCH 28 31 ATOM 31 N LIG 1 7.021 -0.231 -0.915 0.00 0.00 -0.269 N ATOM 32 H LIG 1 7.404 -0.639 -1.753 0.00 0.00 +0.156 HD ATOM 33 C LIG 1 7.623 0.944 -0.484 0.00 0.00 +0.308 C ATOM 34 N LIG 1 8.850 1.105 -1.114 0.00 0.00 -0.269 N ATOM 35 H LIG 1 9.229 0.284 -1.558 0.00 0.00 +0.156 HD ATOM 36 O LIG 1 7.145 1.720 0.332 0.00 0.00 -0.252 OA BRANCH 34 37 ATOM 37 C LIG 1 9.717 2.215 -1.036 0.00 0.00 +0.035 A ATOM 38 C LIG 1 9.379 3.429 -0.435 0.00 0.00 +0.023 A ATOM 39 C LIG 1 10.293 4.487 -0.410 0.00 0.00 +0.002 A ATOM 40 C LIG 1 11.552 4.342 -0.987 0.00 0.00 +0.000 A ATOM 41 C LIG 1 11.898 3.138 -1.595 0.00 0.00 +0.002 A ATOM 42 C LIG 1 10.984 2.081 -1.621 0.00 0.00 +0.023 A ENDBRANCH 34 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11