REMARK Name = BDB031147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.307 -1.446 1.319 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -0.725 -1.177 2.601 0.00 0.00 -0.346 N ATOM 3 H LIG 1 -1.661 -1.366 2.946 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 0.292 -0.548 3.255 0.00 0.00 +0.117 A ATOM 5 C LIG 1 1.336 -0.476 2.352 0.00 0.00 +0.143 A ATOM 6 N LIG 1 0.934 -1.034 1.147 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.368 -0.977 0.751 0.00 0.00 +0.237 C ATOM 8 N LIG 1 -2.281 -1.174 -0.077 0.00 0.00 -0.287 N ATOM 9 C LIG 1 -1.218 -2.106 0.327 0.00 0.00 +0.145 C ATOM 10 C LIG 1 -0.502 -2.494 -0.978 0.00 0.00 +0.063 C ATOM 11 C LIG 1 -1.573 -2.257 -2.033 0.00 0.00 +0.134 C ATOM 12 C LIG 1 -2.241 -0.981 -1.525 0.00 0.00 +0.140 C ATOM 13 O LIG 1 -3.405 -1.475 1.886 0.00 0.00 -0.274 OA BRANCH 11 14 ATOM 14 O LIG 1 -2.478 -3.365 -2.033 0.00 0.00 -0.390 OA ATOM 15 H LIG 1 -3.400 -3.030 -2.026 0.00 0.00 +0.210 HD ENDBRANCH 11 14 BRANCH 7 16 ATOM 16 C LIG 1 -4.565 -0.137 0.237 0.00 0.00 +0.164 C BRANCH 16 19 ATOM 17 C LIG 1 -7.095 -2.934 -0.101 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -5.958 -2.027 -0.486 0.00 0.00 +0.211 C ATOM 19 N LIG 1 -5.739 -0.997 0.409 0.00 0.00 -0.304 N ATOM 20 H LIG 1 -6.000 -1.196 1.368 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 -5.278 -2.214 -1.492 0.00 0.00 -0.276 OA ENDBRANCH 16 19 BRANCH 16 22 ATOM 22 C LIG 1 -4.698 1.243 0.953 0.00 0.00 -0.011 C ATOM 23 C LIG 1 -5.891 2.013 0.344 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -3.421 2.075 0.709 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -4.926 1.133 2.471 0.00 0.00 +0.013 C ENDBRANCH 16 22 ENDBRANCH 7 16 ENDBRANCH 1 9 BRANCH 5 26 ATOM 26 C LIG 1 2.644 0.151 2.616 0.00 0.00 +0.266 C ATOM 27 N LIG 1 3.740 -0.224 1.831 0.00 0.00 -0.295 N ATOM 28 C LIG 1 3.721 -1.327 0.881 0.00 0.00 +0.132 C ATOM 29 O LIG 1 2.752 0.987 3.516 0.00 0.00 -0.268 OA BRANCH 27 30 ATOM 30 C LIG 1 4.973 0.545 1.940 0.00 0.00 +0.143 C BRANCH 30 31 ATOM 31 C LIG 1 5.354 1.227 0.647 0.00 0.00 -0.030 A ATOM 32 C LIG 1 6.474 0.800 -0.083 0.00 0.00 +0.013 A ATOM 33 C LIG 1 6.842 1.428 -1.284 0.00 0.00 -0.018 A ATOM 34 C LIG 1 6.072 2.509 -1.766 0.00 0.00 -0.018 A ATOM 35 C LIG 1 6.447 3.140 -2.964 0.00 0.00 +0.008 A ATOM 36 C LIG 1 7.568 2.708 -3.675 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.325 1.640 -3.201 0.00 0.00 +0.001 A ATOM 38 C LIG 1 4.950 2.930 -1.035 0.00 0.00 +0.009 A ATOM 39 C LIG 1 7.963 1.003 -2.014 0.00 0.00 +0.008 A ATOM 40 C LIG 1 4.594 2.295 0.158 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 5 26 TORSDOF 8