REMARK Name = BDB031704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.246 -2.510 -0.280 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.520 -2.842 0.879 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.684 -2.173 1.132 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.209 -1.204 0.290 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.428 -0.784 0.914 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -2.635 -1.451 2.054 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.500 -0.880 -0.881 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.581 -2.273 2.157 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.531 -2.886 2.962 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.709 -1.542 -1.148 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.925 1.256 0.442 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.511 -0.084 0.464 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.062 -0.985 -0.435 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.865 -2.454 -0.681 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.548 -3.200 -0.613 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.845 -2.775 -1.786 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.481 -1.593 -2.121 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.191 -1.540 -2.835 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.022 -3.878 -2.275 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.611 -3.414 0.446 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.037 -0.529 -1.333 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.470 0.779 -1.384 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.899 1.681 -0.481 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.661 3.427 1.385 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.307 2.050 1.371 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.217 0.170 0.360 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -2.912 0.584 -0.517 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.436 0.743 0.770 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -5.020 1.726 -0.025 0.00 0.00 +0.153 A ATOM 30 O LIG 1 -4.466 2.177 -1.204 0.00 0.00 -0.482 OA ATOM 31 C LIG 1 -5.382 3.183 -1.705 0.00 0.00 +0.308 C ATOM 32 C LIG 1 -6.507 3.272 -0.709 0.00 0.00 +0.204 C ATOM 33 O LIG 1 -7.484 3.995 -0.745 0.00 0.00 -0.288 OA ATOM 34 C LIG 1 -6.215 2.322 0.330 0.00 0.00 +0.064 A ATOM 35 C LIG 1 -6.911 1.997 1.474 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -6.351 1.016 2.290 0.00 0.00 +0.003 A ATOM 37 C LIG 1 -5.130 0.399 1.940 0.00 0.00 +0.027 A ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 4