REMARK Name = BDB024476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.473 1.417 1.035 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -0.412 1.693 2.054 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.146 1.392 2.989 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.295 1.753 -0.129 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.734 -0.376 0.979 0.00 0.00 +0.123 A ATOM 6 N LIG 1 3.849 -0.714 2.274 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 2.868 -0.337 3.107 0.00 0.00 +0.224 A ATOM 8 N LIG 1 1.773 0.349 2.773 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 1.691 0.657 1.458 0.00 0.00 +0.130 A ATOM 10 C LIG 1 2.636 0.315 0.517 0.00 0.00 +0.076 A BRANCH 5 11 ATOM 11 N LIG 1 4.699 -0.784 0.051 0.00 0.00 -0.326 N ATOM 12 H LIG 1 4.927 -0.031 -0.591 0.00 0.00 +0.148 HD BRANCH 11 18 ATOM 13 C LIG 1 10.140 1.041 -1.040 0.00 0.00 +0.109 C ATOM 14 C LIG 1 9.259 -0.012 -1.664 0.00 0.00 +0.212 C ATOM 15 N LIG 1 8.172 -0.463 -0.912 0.00 0.00 -0.302 N ATOM 16 C LIG 1 7.628 0.294 0.213 0.00 0.00 +0.109 C ATOM 17 C LIG 1 6.899 -0.592 1.215 0.00 0.00 +0.041 C ATOM 18 C LIG 1 5.870 -1.515 0.556 0.00 0.00 +0.075 C ATOM 19 C LIG 1 6.522 -2.289 -0.594 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.249 -1.381 -1.576 0.00 0.00 +0.109 C ATOM 21 O LIG 1 9.520 -0.447 -2.786 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -1.641 2.443 1.862 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -2.870 1.544 1.631 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -2.955 0.618 2.725 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.186 0.027 2.638 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -2.815 0.804 0.269 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.045 0.146 -0.212 0.00 0.00 -0.294 NA ATOM 28 C LIG 1 -5.054 1.117 -0.681 0.00 0.00 +0.138 C ATOM 29 C LIG 1 -6.298 0.398 -1.077 0.00 0.00 +0.034 A ATOM 30 N LIG 1 -7.310 0.911 -1.839 0.00 0.00 -0.357 N ATOM 31 H LIG 1 -7.332 1.834 -2.247 0.00 0.00 +0.166 HD ATOM 32 C LIG 1 -8.313 -0.027 -1.973 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -7.913 -1.172 -1.278 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -8.768 -2.291 -1.267 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -9.991 -2.227 -1.945 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -10.366 -1.072 -2.628 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -9.533 0.051 -2.656 0.00 0.00 +0.026 A ATOM 38 C LIG 1 -6.640 -0.889 -0.718 0.00 0.00 -0.017 A ATOM 39 C LIG 1 -5.712 -1.720 0.098 0.00 0.00 +0.053 C ATOM 40 C LIG 1 -4.619 -0.827 0.746 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8