REMARK Name = BDB060733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.174 1.614 0.940 0.00 0.00 +0.097 A ATOM 2 C LIG 1 0.754 0.369 0.612 0.00 0.00 +0.101 A ATOM 3 N LIG 1 2.110 0.204 0.569 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 2.858 1.280 0.883 0.00 0.00 +0.234 A ATOM 5 C LIG 1 2.290 2.492 1.233 0.00 0.00 +0.178 A ATOM 6 N LIG 1 0.951 2.686 1.273 0.00 0.00 -0.248 NA ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -4.055 2.478 0.997 0.00 0.00 -0.033 A ATOM 8 C LIG 1 -3.238 2.811 2.083 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -1.868 2.531 2.053 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -1.274 1.901 0.946 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.101 1.585 -0.145 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -3.472 1.860 -0.116 0.00 0.00 +0.005 A BRANCH 7 13 ATOM 13 C LIG 1 -5.542 2.763 1.032 0.00 0.00 +0.119 C BRANCH 13 15 ATOM 14 C LIG 1 -5.501 4.933 -0.056 0.00 0.00 +0.104 C ATOM 15 N LIG 1 -6.018 3.563 -0.111 0.00 0.00 -0.304 NA ATOM 16 C LIG 1 -7.481 3.585 -0.133 0.00 0.00 +0.104 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 2 17 ATOM 17 C LIG 1 0.001 -0.862 0.315 0.00 0.00 +0.003 A ATOM 18 C LIG 1 0.252 -1.581 -0.865 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -0.464 -2.741 -1.172 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -1.449 -3.222 -0.300 0.00 0.00 -0.033 A ATOM 21 C LIG 1 -1.690 -2.528 0.892 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -0.971 -1.367 1.196 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 C LIG 1 -2.224 -4.480 -0.632 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 N LIG 1 -2.954 -4.398 -1.910 0.00 0.00 -0.304 NA ATOM 25 C LIG 1 -4.058 -3.438 -1.835 0.00 0.00 +0.104 C ATOM 26 C LIG 1 -3.467 -5.719 -2.278 0.00 0.00 +0.104 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 2 17 BRANCH 4 27 ATOM 27 O LIG 1 4.234 1.201 0.870 0.00 0.00 -0.475 OA BRANCH 27 28 ATOM 28 C LIG 1 4.719 -0.093 0.500 0.00 0.00 +0.234 C BRANCH 28 29 ATOM 29 C LIG 1 6.252 -0.060 0.512 0.00 0.00 +0.029 C ATOM 30 C LIG 1 6.845 -1.439 0.214 0.00 0.00 +0.022 C ATOM 31 C LIG 1 8.376 -1.406 0.280 0.00 0.00 +0.081 C ATOM 32 N LIG 1 8.986 -0.155 -0.187 0.00 0.00 -0.316 NA ATOM 33 H LIG 1 9.153 0.451 0.618 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 8.122 0.551 -1.129 0.00 0.00 +0.081 C ATOM 35 C LIG 1 6.811 0.990 -0.471 0.00 0.00 +0.022 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 9