REMARK Name = BDB004875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.583 0.161 1.639 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.699 -0.869 1.279 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.373 -1.251 2.111 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -0.544 -0.568 3.320 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.328 0.456 3.687 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.387 0.819 2.852 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.606 1.424 0.859 0.00 0.00 +0.266 C ATOM 8 N LIG 1 2.627 0.457 0.736 0.00 0.00 -0.280 N ATOM 9 H LIG 1 2.654 -0.106 -0.100 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.720 2.209 1.793 0.00 0.00 -0.268 OA BRANCH 7 15 ATOM 11 C LIG 1 5.839 1.279 -2.048 0.00 0.00 +0.066 A ATOM 12 N LIG 1 6.350 2.298 -1.349 0.00 0.00 -0.178 NA ATOM 13 N LIG 1 5.557 2.385 -0.270 0.00 0.00 -0.272 N ATOM 14 H LIG 1 5.748 3.098 0.428 0.00 0.00 +0.189 HD ATOM 15 C LIG 1 4.544 1.462 -0.240 0.00 0.00 +0.121 A ATOM 16 C LIG 1 4.707 0.725 -1.397 0.00 0.00 +0.057 A BRANCH 11 18 ATOM 17 C LIG 1 7.017 -0.566 -3.269 0.00 0.00 +0.014 C ATOM 18 C LIG 1 6.473 0.862 -3.345 0.00 0.00 +0.033 C ATOM 19 C LIG 1 5.502 1.004 -4.519 0.00 0.00 +0.014 C ENDBRANCH 11 18 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -1.301 -2.373 1.665 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -2.001 -3.185 2.758 0.00 0.00 +0.033 C BRANCH 20 22 ATOM 22 N LIG 1 -2.213 -1.946 0.594 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -1.682 -1.552 -0.177 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.287 -1.074 0.853 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.152 -0.717 -0.206 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -5.190 0.186 0.098 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -6.054 0.566 -0.951 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.898 0.052 -2.253 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -4.886 -0.849 -2.538 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.339 0.656 1.356 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -4.483 0.225 2.289 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.021 -1.231 -1.522 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -3.473 -0.620 2.098 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -7.190 1.526 -0.772 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -7.961 1.787 -1.690 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -7.357 2.117 0.444 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -6.764 1.866 1.230 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -8.147 2.731 0.586 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 7