REMARK Name = BDB010877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.721 0.130 -0.903 0.00 0.00 -0.322 N ATOM 2 C LIG 1 -1.565 -0.939 -0.672 0.00 0.00 +0.114 A ATOM 3 C LIG 1 -2.728 -0.351 -0.193 0.00 0.00 +0.183 A ATOM 4 N LIG 1 -3.820 -1.022 0.203 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -3.676 -2.349 0.089 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -2.610 -3.022 -0.378 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 -2.644 1.005 -0.189 0.00 0.00 -0.210 NA ATOM 8 C LIG 1 -1.528 -2.325 -0.791 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -1.429 1.290 -0.621 0.00 0.00 +0.142 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.842 -3.149 0.527 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.934 -2.518 0.991 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -6.072 -1.525 1.085 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.824 -3.466 1.312 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.940 -3.276 1.767 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.270 -4.692 1.041 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.958 -4.437 0.523 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.440 -3.118 -1.345 0.00 0.00 +0.004 A ATOM 18 C LIG 1 0.370 -3.899 -0.507 0.00 0.00 +0.030 A ATOM 19 C LIG 1 1.399 -4.674 -1.041 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 2.401 -5.601 0.006 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 1.629 -4.696 -2.415 0.00 0.00 +0.020 A ATOM 22 C LIG 1 0.817 -3.945 -3.263 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.214 -3.167 -2.731 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 0.645 0.089 -1.403 0.00 0.00 +0.127 C BRANCH 24 29 ATOM 25 C LIG 1 5.117 -0.734 1.761 0.00 0.00 +0.007 C ATOM 26 C LIG 1 4.399 -0.774 0.412 0.00 0.00 -0.014 C ATOM 27 C LIG 1 4.242 0.650 -0.150 0.00 0.00 +0.003 C ATOM 28 C LIG 1 3.056 0.742 -1.103 0.00 0.00 +0.005 C ATOM 29 C LIG 1 1.726 0.472 -0.371 0.00 0.00 +0.009 C ATOM 30 C LIG 1 1.885 -0.570 0.755 0.00 0.00 +0.005 C ATOM 31 C LIG 1 3.055 -1.518 0.508 0.00 0.00 +0.003 C ENDBRANCH 24 29 ENDBRANCH 1 24 BRANCH 9 32 ATOM 32 C LIG 1 -0.929 2.695 -0.824 0.00 0.00 +0.183 C BRANCH 32 33 ATOM 33 C LIG 1 -0.660 3.440 0.497 0.00 0.00 +0.029 C ATOM 34 C LIG 1 0.151 4.725 0.224 0.00 0.00 +0.034 C ATOM 35 C LIG 1 -0.017 5.770 1.324 0.00 0.00 +0.160 C ATOM 36 O LIG 1 -0.255 5.128 2.571 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -1.534 4.494 2.615 0.00 0.00 +0.160 C ATOM 38 C LIG 1 -1.915 3.814 1.298 0.00 0.00 +0.034 C ENDBRANCH 32 33 BRANCH 32 39 ATOM 39 O LIG 1 -1.931 3.369 -1.585 0.00 0.00 -0.384 OA ATOM 40 H LIG 1 -2.789 3.045 -1.245 0.00 0.00 +0.210 HD ENDBRANCH 32 39 ENDBRANCH 9 32 TORSDOF 7