REMARK Name = BDB037751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.030 -2.316 -0.350 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.822 -1.246 0.086 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.343 0.038 0.276 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.459 0.840 0.632 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.564 0.079 0.683 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.092 0.396 0.043 0.00 0.00 +0.057 C ATOM 7 C LIG 1 0.917 -0.871 0.380 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -3.164 -1.176 0.377 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.367 -2.113 -0.367 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.150 -2.920 -0.884 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.465 2.290 0.924 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.640 3.014 0.737 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.677 4.439 0.934 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.079 4.923 0.700 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.924 3.721 0.374 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.442 5.078 2.054 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.933 2.540 0.185 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.439 2.854 1.306 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.827 2.189 -1.248 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.755 1.915 -2.375 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -4.173 -2.225 0.465 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -5.141 -2.171 -0.722 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -6.198 -3.255 -0.582 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -6.881 -3.135 0.664 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -6.014 -3.285 1.786 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.954 -2.195 1.789 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.347 -0.757 0.094 0.00 0.00 -0.302 N ATOM 28 H LIG 1 2.719 -1.401 -0.596 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.191 -0.016 0.884 0.00 0.00 +0.231 C ATOM 30 O LIG 1 2.785 0.586 1.878 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 C LIG 1 4.680 -0.072 0.495 0.00 0.00 +0.141 C ATOM 32 N LIG 1 5.344 1.201 0.829 0.00 0.00 -0.303 NA ATOM 33 H LIG 1 5.414 1.312 1.840 0.00 0.00 +0.123 HD ATOM 34 C LIG 1 6.636 1.200 0.148 0.00 0.00 +0.057 C ATOM 35 C LIG 1 6.400 0.382 -1.132 0.00 0.00 +0.008 C ATOM 36 C LIG 1 7.450 -0.713 -1.345 0.00 0.00 +0.005 C ATOM 37 C LIG 1 8.857 -0.163 -1.140 0.00 0.00 +0.000 C ATOM 38 C LIG 1 9.056 0.481 0.235 0.00 0.00 +0.002 C ATOM 39 C LIG 1 7.760 0.646 1.028 0.00 0.00 +0.019 C ATOM 40 C LIG 1 4.983 -0.183 -0.992 0.00 0.00 +0.033 C ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 0.337 0.869 -1.384 0.00 0.00 -0.001 C ATOM 42 C LIG 1 1.461 1.826 -1.699 0.00 0.00 +0.004 C ATOM 43 C LIG 1 0.037 2.293 -1.786 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -1.400 -4.734 0.026 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -1.508 -3.562 -0.940 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7