REMARK Name = BDB007680 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.632 -0.419 -0.163 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -0.968 0.483 -1.158 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.268 0.828 -1.799 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.473 -0.998 0.515 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.076 0.008 0.053 0.00 0.00 +0.123 A ATOM 6 N LIG 1 3.443 -1.246 0.350 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 2.473 -2.167 0.468 0.00 0.00 +0.224 A ATOM 8 N LIG 1 1.168 -1.955 0.303 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 0.831 -0.682 0.019 0.00 0.00 +0.130 A ATOM 10 C LIG 1 1.748 0.343 -0.110 0.00 0.00 +0.076 A BRANCH 5 11 ATOM 11 N LIG 1 4.027 1.028 -0.059 0.00 0.00 -0.326 N ATOM 12 H LIG 1 3.874 1.546 -0.921 0.00 0.00 +0.148 HD BRANCH 11 18 ATOM 13 C LIG 1 9.974 -0.884 1.842 0.00 0.00 +0.109 C ATOM 14 C LIG 1 9.018 -1.451 0.821 0.00 0.00 +0.212 C ATOM 15 N LIG 1 7.744 -0.899 0.784 0.00 0.00 -0.302 N ATOM 16 C LIG 1 6.776 -1.406 -0.185 0.00 0.00 +0.109 C ATOM 17 C LIG 1 6.032 -0.264 -0.870 0.00 0.00 +0.041 C ATOM 18 C LIG 1 5.458 0.741 0.141 0.00 0.00 +0.075 C ATOM 19 C LIG 1 5.788 0.419 1.600 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.272 0.097 1.746 0.00 0.00 +0.109 C ATOM 21 O LIG 1 9.381 -2.351 0.063 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -2.358 0.828 -1.435 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -3.122 -0.307 -2.135 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -2.373 -0.729 -3.287 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.577 -1.159 -2.927 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.521 0.141 -2.607 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.396 0.710 -1.567 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.711 -0.288 -0.521 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.792 0.151 0.449 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.659 1.214 0.140 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.663 1.582 1.046 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.825 0.879 2.240 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.981 -0.189 2.542 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.461 1.994 -1.134 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.969 -0.553 1.652 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.644 1.211 -2.168 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8