REMARK Name = BDB063424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.676 -0.991 1.242 0.00 0.00 -0.283 N ATOM 2 H LIG 1 0.361 -1.781 1.786 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -1.401 1.728 0.197 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -0.290 0.992 0.333 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -0.406 -0.140 1.029 0.00 0.00 +0.224 A ATOM 6 N LIG 1 -1.560 -0.561 1.574 0.00 0.00 -0.199 NA ATOM 7 C LIG 1 -2.673 0.184 1.408 0.00 0.00 +0.134 A ATOM 8 C LIG 1 -2.618 1.376 0.716 0.00 0.00 +0.111 A BRANCH 3 10 ATOM 9 C LIG 1 -0.070 3.221 -1.027 0.00 0.00 +0.279 C ATOM 10 O LIG 1 -1.358 2.922 -0.498 0.00 0.00 -0.480 OA ENDBRANCH 3 10 BRANCH 7 11 ATOM 11 N LIG 1 -3.904 -0.225 1.994 0.00 0.00 -0.288 N ATOM 12 C LIG 1 -3.808 -1.508 2.702 0.00 0.00 +0.137 C BRANCH 11 13 ATOM 13 C LIG 1 -5.188 -0.074 1.380 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -5.348 -0.282 -0.015 0.00 0.00 +0.053 A ATOM 15 C LIG 1 -6.661 -0.105 -0.482 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -7.728 0.255 0.416 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -8.877 0.352 -0.333 0.00 0.00 +0.044 A ATOM 18 N LIG 1 -8.464 0.062 -1.612 0.00 0.00 -0.270 N ATOM 19 C LIG 1 -9.287 0.029 -2.800 0.00 0.00 +0.172 C ATOM 20 C LIG 1 -10.281 0.683 0.010 0.00 0.00 +0.066 C ATOM 21 C LIG 1 -7.624 0.468 1.786 0.00 0.00 +0.013 A ATOM 22 N LIG 1 -7.151 -0.225 -1.725 0.00 0.00 -0.171 NA ATOM 23 C LIG 1 -6.297 0.284 2.229 0.00 0.00 +0.024 A ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 2.031 -0.950 0.901 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.846 -2.036 1.256 0.00 0.00 +0.024 A ATOM 26 C LIG 1 4.211 -2.069 0.936 0.00 0.00 +0.013 A ATOM 27 C LIG 1 4.805 -1.009 0.244 0.00 0.00 +0.017 A ATOM 28 C LIG 1 3.998 0.079 -0.107 0.00 0.00 +0.013 A ATOM 29 C LIG 1 2.633 0.104 0.213 0.00 0.00 +0.024 A BRANCH 27 30 ATOM 30 C LIG 1 6.227 -0.996 -0.116 0.00 0.00 +0.139 A ATOM 31 N LIG 1 7.032 -2.113 -0.140 0.00 0.00 -0.338 N ATOM 32 H LIG 1 6.735 -3.053 0.071 0.00 0.00 +0.167 HD ATOM 33 C LIG 1 8.296 -1.747 -0.527 0.00 0.00 +0.067 A ATOM 34 C LIG 1 8.211 -0.376 -0.738 0.00 0.00 +0.102 A ATOM 35 C LIG 1 9.361 0.324 -1.152 0.00 0.00 +0.064 A ATOM 36 C LIG 1 10.554 -0.400 -1.338 0.00 0.00 +0.015 A ATOM 37 C LIG 1 10.601 -1.779 -1.119 0.00 0.00 +0.003 A ATOM 38 C LIG 1 9.467 -2.486 -0.707 0.00 0.00 +0.028 A ATOM 39 N LIG 1 6.924 0.065 -0.484 0.00 0.00 -0.227 NA BRANCH 35 40 ATOM 40 C LIG 1 9.352 1.786 -1.394 0.00 0.00 +0.244 C ATOM 41 O LIG 1 10.359 2.381 -1.760 0.00 0.00 -0.270 OA ATOM 42 N LIG 1 8.178 2.450 -1.191 0.00 0.00 -0.325 N ATOM 43 H LIG 1 8.143 3.447 -1.339 0.00 0.00 +0.145 HD ATOM 44 H LIG 1 7.343 1.957 -0.878 0.00 0.00 +0.145 HD ENDBRANCH 35 40 ENDBRANCH 27 30 ENDBRANCH 1 24 TORSDOF 7