REMARK Name = BDB057287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.167 -0.327 1.348 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.268 -1.026 2.131 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.140 -0.729 2.402 0.00 0.00 +0.162 C ATOM 4 C LIG 1 0.478 -1.642 3.585 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.400 -2.863 3.335 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -1.680 -2.259 2.781 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -3.311 -0.768 1.181 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.052 -1.034 1.192 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.372 -0.697 1.378 0.00 0.00 -0.302 N ATOM 10 H LIG 1 2.713 -0.366 2.278 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 0.643 -1.502 0.132 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.387 -0.940 0.351 0.00 0.00 +0.163 C BRANCH 12 13 ATOM 13 C LIG 1 4.740 -0.961 1.084 0.00 0.00 +0.231 C ATOM 14 O LIG 1 4.882 -0.522 2.226 0.00 0.00 -0.274 OA ATOM 15 N LIG 1 5.797 -1.500 0.413 0.00 0.00 -0.328 N ATOM 16 H LIG 1 6.705 -1.472 0.859 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 5.758 -1.737 -0.572 0.00 0.00 +0.145 HD ENDBRANCH 12 13 BRANCH 12 18 ATOM 18 C LIG 1 3.350 0.152 -0.731 0.00 0.00 +0.067 C BRANCH 18 19 ATOM 19 C LIG 1 4.097 -0.215 -1.992 0.00 0.00 -0.045 A ATOM 20 C LIG 1 5.280 0.451 -2.341 0.00 0.00 +0.004 A ATOM 21 C LIG 1 5.978 0.089 -3.494 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.499 -0.934 -4.310 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.317 -1.594 -3.977 0.00 0.00 +0.000 A ATOM 24 C LIG 1 3.617 -1.235 -2.825 0.00 0.00 +0.004 A ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -1.716 1.011 0.688 0.00 0.00 +0.162 C BRANCH 25 27 ATOM 26 C LIG 1 -3.788 1.624 -0.630 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -2.474 1.204 -0.551 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -2.287 0.510 -1.276 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -4.381 2.248 0.240 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -4.423 1.276 -2.005 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -5.947 1.291 -1.901 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -4.234 -0.365 -3.816 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -3.877 -0.037 -2.444 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 -4.240 -0.758 -1.812 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 -1.586 2.219 1.654 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -2.620 2.282 2.781 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.471 3.563 0.929 0.00 0.00 +0.009 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 10