REMARK Name = BDB010300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.296 0.105 0.768 0.00 0.00 -0.307 N ATOM 2 C LIG 1 -0.540 -0.942 0.410 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.261 -1.735 -0.390 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.145 -2.858 -1.002 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -1.411 -3.166 -0.695 0.00 0.00 +0.203 A ATOM 6 N LIG 1 -2.255 -2.490 0.104 0.00 0.00 -0.207 NA ATOM 7 N LIG 1 1.530 -1.262 -0.453 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.860 -1.323 0.654 0.00 0.00 +0.152 A ATOM 9 C LIG 1 1.585 -0.256 0.393 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -1.924 -4.407 -1.316 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.111 -5.130 -2.105 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.152 -4.927 -2.337 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.818 -6.184 -2.530 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -1.415 -7.069 -3.268 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.080 -6.106 -1.994 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.108 -4.915 -1.197 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 N LIG 1 2.742 0.335 0.803 0.00 0.00 -0.289 N ATOM 18 C LIG 1 3.970 0.131 -0.009 0.00 0.00 +0.132 C ATOM 19 C LIG 1 4.903 1.356 0.235 0.00 0.00 +0.187 C ATOM 20 O LIG 1 5.266 1.611 1.604 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 4.411 0.968 2.552 0.00 0.00 +0.179 C ATOM 22 C LIG 1 2.936 0.945 2.124 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 4.688 -1.209 0.201 0.00 0.00 -0.025 A ATOM 24 C LIG 1 5.835 -1.499 -0.564 0.00 0.00 +0.005 A ATOM 25 C LIG 1 6.521 -2.708 -0.416 0.00 0.00 +0.000 A ATOM 26 C LIG 1 6.068 -3.660 0.491 0.00 0.00 +0.000 A ATOM 27 C LIG 1 4.925 -3.407 1.242 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.240 -2.197 1.094 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 9 17 BRANCH 8 29 ATOM 29 N LIG 1 -2.716 -0.625 1.518 0.00 0.00 -0.310 N ATOM 30 C LIG 1 -3.786 0.276 1.136 0.00 0.00 +0.079 C ATOM 31 C LIG 1 -4.410 -0.023 2.509 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -3.545 -1.281 2.499 0.00 0.00 +0.109 C BRANCH 30 33 ATOM 33 C LIG 1 -4.803 0.000 0.017 0.00 0.00 +0.010 C ATOM 34 C LIG 1 -4.212 -0.049 -1.406 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -5.287 -1.110 -1.727 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -5.330 -1.426 -0.215 0.00 0.00 +0.005 C ENDBRANCH 30 33 ENDBRANCH 8 29 BRANCH 1 37 ATOM 37 C LIG 1 -0.149 1.371 1.315 0.00 0.00 +0.128 C BRANCH 37 42 ATOM 38 C LIG 1 -0.870 5.693 -0.974 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -0.448 4.488 -1.819 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -1.506 3.370 -1.785 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.096 2.140 -0.969 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -0.348 2.531 0.307 0.00 0.00 +0.009 C ATOM 43 C LIG 1 0.953 3.276 -0.040 0.00 0.00 +0.005 C ATOM 44 C LIG 1 0.932 3.970 -1.406 0.00 0.00 +0.003 C ENDBRANCH 37 42 ENDBRANCH 1 37 TORSDOF 7