REMARK Name = BDB016010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.598 -0.091 0.365 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.263 -0.263 0.452 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.422 0.473 1.352 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.227 1.382 2.186 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.595 1.482 2.018 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.302 0.767 1.122 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.413 -1.449 -1.830 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.703 -0.693 -0.883 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.329 -0.899 -0.633 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.685 -1.904 -1.378 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.374 -2.664 -2.326 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.731 -2.436 -2.551 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.191 -0.237 -1.213 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.938 -0.679 -1.776 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.899 -1.103 -3.051 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.616 -1.430 -3.229 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.827 -1.216 -2.073 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.728 -0.730 -1.147 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.448 2.215 3.156 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.210 2.190 4.514 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.050 3.117 5.060 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -1.189 3.448 6.457 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -1.802 3.763 4.148 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.431 3.215 2.989 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.804 0.233 1.498 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.299 1.118 1.586 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.434 -0.586 0.452 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 C LIG 1 -2.687 0.249 -0.824 0.00 0.00 +0.151 C ATOM 29 O LIG 1 -3.433 1.459 -0.537 0.00 0.00 -0.372 OA ATOM 30 C LIG 1 -4.815 1.210 -0.247 0.00 0.00 +0.177 C ATOM 31 C LIG 1 -5.505 0.430 -1.371 0.00 0.00 +0.137 C ATOM 32 N LIG 1 -4.790 -0.869 -1.584 0.00 0.00 -0.177 NA ATOM 33 C LIG 1 -3.355 -0.585 -1.931 0.00 0.00 +0.142 C BRANCH 32 34 ATOM 34 S LIG 1 -5.538 -1.938 -2.681 0.00 0.00 +0.029 S ATOM 35 O LIG 1 -4.660 -3.077 -2.843 0.00 0.00 -0.158 OA ATOM 36 O LIG 1 -5.982 -1.164 -3.818 0.00 0.00 -0.158 OA ATOM 37 C LIG 1 -6.961 -2.483 -1.758 0.00 0.00 +0.215 C ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7