REMARK Name = BDB011388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.485 -0.612 -0.740 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.514 0.051 0.027 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.704 -0.408 -0.386 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.141 -0.190 -0.054 0.00 0.00 +0.154 C ATOM 5 N LIG 1 -2.751 -1.225 -0.952 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.791 -1.942 -1.696 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.972 -2.888 -2.445 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.525 -1.379 -1.331 0.00 0.00 +0.060 A ATOM 9 C LIG 1 0.836 -1.509 -1.586 0.00 0.00 +0.041 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.727 -0.865 0.384 0.00 0.00 +0.228 A ATOM 11 C LIG 1 2.926 -0.390 -0.638 0.00 0.00 +0.078 A ATOM 12 C LIG 1 3.611 0.315 -1.598 0.00 0.00 +0.129 A ATOM 13 N LIG 1 4.939 0.554 -1.557 0.00 0.00 -0.222 NA ATOM 14 C LIG 1 5.636 0.062 -0.518 0.00 0.00 +0.220 A ATOM 15 N LIG 1 5.055 -0.647 0.463 0.00 0.00 -0.179 NA BRANCH 14 16 ATOM 16 N LIG 1 7.005 0.324 -0.440 0.00 0.00 -0.306 N ATOM 17 C LIG 1 7.749 -0.603 0.398 0.00 0.00 +0.132 C ATOM 18 C LIG 1 7.619 0.700 -1.704 0.00 0.00 +0.132 C ENDBRANCH 14 16 BRANCH 10 20 ATOM 19 C LIG 1 4.018 -2.094 2.364 0.00 0.00 +0.279 C ATOM 20 O LIG 1 3.109 -1.585 1.394 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -4.069 -1.836 -0.734 0.00 0.00 +0.082 C ATOM 22 C LIG 1 -4.013 -2.877 0.396 0.00 0.00 +0.050 C ATOM 23 C LIG 1 -5.415 -3.164 0.906 0.00 0.00 +0.161 C ATOM 24 O LIG 1 -6.041 -2.011 1.469 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.639 -0.759 0.916 0.00 0.00 +0.161 C ATOM 26 C LIG 1 -5.235 -0.857 -0.546 0.00 0.00 +0.050 C ENDBRANCH 5 21 BRANCH 4 27 ATOM 27 C LIG 1 -2.638 1.205 -0.383 0.00 0.00 -0.021 A ATOM 28 C LIG 1 -2.541 1.732 -1.684 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -3.008 3.017 -1.975 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -3.582 3.798 -0.971 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -3.688 3.288 0.326 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.220 2.002 0.617 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 C LIG 1 -4.061 5.116 -1.267 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -4.449 6.185 -1.501 0.00 0.00 -0.191 NA ENDBRANCH 30 33 ENDBRANCH 4 27 BRANCH 2 35 ATOM 35 C LIG 1 0.804 1.036 1.071 0.00 0.00 +0.081 C ATOM 36 C LIG 1 0.652 2.469 0.567 0.00 0.00 +0.030 C ATOM 37 C LIG 1 0.040 0.794 2.372 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 7