REMARK Name = BDB058023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.168 -0.640 -0.151 0.00 0.00 -0.297 N ATOM 2 C LIG 1 2.085 -0.572 0.840 0.00 0.00 +0.127 C ATOM 3 C LIG 1 0.724 -0.875 0.190 0.00 0.00 +0.127 C ATOM 4 N LIG 1 0.483 -0.072 -1.019 0.00 0.00 -0.295 N ATOM 5 C LIG 1 -0.798 0.141 -1.530 0.00 0.00 +0.247 C ATOM 6 O LIG 1 -1.035 0.314 -2.723 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.579 -0.128 -1.991 0.00 0.00 +0.127 C ATOM 8 C LIG 1 2.950 0.172 -1.362 0.00 0.00 +0.127 C ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 6.682 0.037 0.151 0.00 0.00 +0.116 A ATOM 10 N LIG 1 5.443 -0.065 -0.382 0.00 0.00 -0.211 NA ATOM 11 C LIG 1 4.444 -0.495 0.399 0.00 0.00 +0.218 A ATOM 12 N LIG 1 4.637 -0.822 1.688 0.00 0.00 -0.223 NA ATOM 13 C LIG 1 5.879 -0.713 2.192 0.00 0.00 +0.116 A ATOM 14 C LIG 1 6.953 -0.284 1.462 0.00 0.00 +0.051 A BRANCH 9 18 ATOM 15 C LIG 1 9.675 1.089 -1.368 0.00 0.00 +0.253 A ATOM 16 O LIG 1 8.845 1.246 -2.436 0.00 0.00 -0.335 OA ATOM 17 N LIG 1 7.574 0.873 -2.011 0.00 0.00 -0.054 NA ATOM 18 C LIG 1 7.752 0.515 -0.727 0.00 0.00 +0.221 A ATOM 19 N LIG 1 9.060 0.651 -0.290 0.00 0.00 -0.188 NA BRANCH 15 20 ATOM 20 C LIG 1 11.102 1.442 -1.571 0.00 0.00 +0.258 C BRANCH 20 22 ATOM 21 C LIG 1 12.167 -0.656 -1.220 0.00 0.00 +0.194 C ATOM 22 O LIG 1 11.791 0.338 -2.167 0.00 0.00 -0.374 OA ENDBRANCH 20 22 ENDBRANCH 15 20 ENDBRANCH 9 18 ENDBRANCH 1 11 BRANCH 5 23 ATOM 23 C LIG 1 -1.937 0.197 -0.587 0.00 0.00 +0.037 A ATOM 24 C LIG 1 -3.045 -0.621 -0.807 0.00 0.00 +0.013 A ATOM 25 C LIG 1 -4.136 -0.565 0.067 0.00 0.00 +0.009 A ATOM 26 C LIG 1 -4.143 0.329 1.148 0.00 0.00 -0.021 A ATOM 27 C LIG 1 -3.023 1.153 1.349 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -1.928 1.098 0.481 0.00 0.00 +0.013 A BRANCH 26 29 ATOM 29 C LIG 1 -5.249 0.416 2.115 0.00 0.00 +0.058 C ATOM 30 C LIG 1 -6.547 0.182 1.873 0.00 0.00 +0.176 C ATOM 31 C LIG 1 -7.599 0.323 2.913 0.00 0.00 +0.231 C ATOM 32 O LIG 1 -7.493 0.647 4.075 0.00 0.00 -0.283 OA ATOM 33 C LIG 1 -8.819 -0.018 2.192 0.00 0.00 +0.068 A ATOM 34 C LIG 1 -8.458 -0.324 0.882 0.00 0.00 +0.152 A ATOM 35 C LIG 1 -9.419 -0.691 -0.043 0.00 0.00 +0.079 A ATOM 36 C LIG 1 -10.758 -0.744 0.388 0.00 0.00 +0.017 A ATOM 37 C LIG 1 -11.106 -0.425 1.717 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -10.126 -0.055 2.640 0.00 0.00 +0.015 A ATOM 39 O LIG 1 -7.106 -0.196 0.662 0.00 0.00 -0.451 OA BRANCH 35 40 ATOM 40 C LIG 1 -9.032 -1.057 -1.423 0.00 0.00 +0.245 C ATOM 41 O LIG 1 -7.957 -1.583 -1.678 0.00 0.00 -0.270 OA ATOM 42 N LIG 1 -9.931 -0.770 -2.413 0.00 0.00 -0.325 N ATOM 43 H LIG 1 -10.688 -0.115 -2.281 0.00 0.00 +0.145 HD ATOM 44 H LIG 1 -9.600 -0.911 -3.360 0.00 0.00 +0.145 HD ENDBRANCH 35 40 ENDBRANCH 26 29 ENDBRANCH 5 23 TORSDOF 7