REMARK Name = BDB024384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.476 0.396 -1.141 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.470 -0.896 -0.334 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.388 -0.914 1.068 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.388 -2.124 1.766 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.485 -3.331 1.077 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.591 -3.331 -0.311 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.589 -2.124 -1.011 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.459 1.690 -0.063 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.670 2.538 0.451 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.842 1.631 -0.449 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.518 2.652 -0.241 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.013 -0.493 -0.169 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.793 0.690 0.529 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.623 1.380 0.537 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.588 0.887 -0.172 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.713 -0.263 -0.928 0.00 0.00 +0.045 A ATOM 17 C LIG 1 2.932 -0.950 -0.922 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 5.221 -1.677 2.272 0.00 0.00 +0.038 C ATOM 19 C LIG 1 6.040 -1.343 1.029 0.00 0.00 +0.156 C ATOM 20 N LIG 1 5.220 -1.202 -0.216 0.00 0.00 -0.316 N ATOM 21 C LIG 1 5.998 -0.828 -1.431 0.00 0.00 +0.125 C ATOM 22 C LIG 1 7.489 -0.569 -1.138 0.00 0.00 +0.126 C ATOM 23 N LIG 1 7.670 0.239 0.064 0.00 0.00 -0.302 N ATOM 24 C LIG 1 8.772 1.177 0.121 0.00 0.00 +0.132 C ATOM 25 C LIG 1 7.012 -0.154 1.233 0.00 0.00 +0.236 C ATOM 26 O LIG 1 7.218 0.365 2.327 0.00 0.00 -0.274 OA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -2.831 0.735 -1.680 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -2.753 1.692 -2.032 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.896 0.719 -0.661 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -5.240 1.269 -1.205 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -5.161 2.748 -1.609 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -6.355 1.045 -0.189 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.372 1.715 1.045 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.399 1.488 1.965 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -8.423 0.586 1.666 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -8.414 -0.089 0.443 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.387 0.139 -0.477 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -9.476 0.352 2.610 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -10.329 0.162 3.374 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9