REMARK Name = BDB024271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.276 -0.389 0.219 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.439 -1.883 -0.023 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.823 -2.725 1.034 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.975 -4.098 0.830 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.754 -4.645 -0.432 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.389 -3.820 -1.494 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.238 -2.447 -1.294 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.057 0.150 -0.392 0.00 0.00 +0.239 C ATOM 9 N LIG 1 1.180 -0.378 0.232 0.00 0.00 -0.284 N ATOM 10 H LIG 1 1.013 -1.123 0.899 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.060 0.960 -1.319 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.532 -0.080 -0.030 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.495 -0.817 0.667 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.861 -0.581 0.469 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.292 0.401 -0.431 0.00 0.00 -0.015 A ATOM 16 C LIG 1 4.325 1.140 -1.121 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.958 0.901 -0.924 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 6.705 0.665 -0.643 0.00 0.00 +0.020 A ATOM 19 C LIG 1 7.721 -0.261 -0.508 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.880 0.393 -0.814 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.213 -0.159 -0.822 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.698 1.684 -1.140 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.375 1.846 -1.040 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.445 0.332 -0.335 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.260 0.439 -1.337 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.614 1.678 0.232 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.554 0.877 2.494 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.740 1.809 1.292 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -5.137 1.686 0.695 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.965 2.817 0.622 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.250 2.728 0.078 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.726 1.505 -0.403 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.910 0.374 -0.338 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.626 0.465 0.207 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -9.043 1.413 -0.960 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -10.111 1.342 -1.409 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9