REMARK Name = BDB042110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.097 -0.220 -2.325 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.905 -0.231 -1.362 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.799 0.393 -0.037 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -2.158 0.898 0.480 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -3.161 -0.167 0.551 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -3.085 -1.140 -0.552 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -2.241 -0.683 -1.756 0.00 0.00 +0.123 C ATOM 8 O LIG 1 -0.096 -0.485 -3.508 0.00 0.00 -0.270 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -4.502 0.297 0.919 0.00 0.00 +0.118 C ATOM 10 C LIG 1 -5.330 -0.814 1.566 0.00 0.00 -0.018 A ATOM 11 C LIG 1 -6.566 -0.954 0.901 0.00 0.00 -0.013 A ATOM 12 C LIG 1 -7.487 -1.898 1.325 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -7.162 -2.702 2.423 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.931 -2.558 3.083 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -6.625 0.000 -0.187 0.00 0.00 -0.013 A ATOM 16 C LIG 1 -7.630 0.236 -1.111 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -7.437 1.238 -2.066 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -6.254 1.993 -2.084 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -5.240 1.758 -1.152 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -5.002 -1.606 2.658 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -5.424 0.751 -0.214 0.00 0.00 -0.018 A ENDBRANCH 5 9 BRANCH 1 28 ATOM 22 N LIG 1 5.501 0.002 0.365 0.00 0.00 -0.282 N ATOM 23 C LIG 1 5.405 0.910 -0.675 0.00 0.00 +0.248 C ATOM 24 O LIG 1 6.255 1.666 -1.100 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 4.054 0.778 -1.233 0.00 0.00 +0.042 A ATOM 26 C LIG 1 3.410 -0.261 -0.561 0.00 0.00 -0.017 A ATOM 27 C LIG 1 2.113 -0.610 -0.894 0.00 0.00 +0.019 A ATOM 28 C LIG 1 1.477 0.123 -1.910 0.00 0.00 +0.037 A ATOM 29 C LIG 1 2.151 1.152 -2.601 0.00 0.00 +0.014 A ATOM 30 C LIG 1 3.460 1.494 -2.256 0.00 0.00 +0.014 A ATOM 31 C LIG 1 4.332 -0.862 0.445 0.00 0.00 +0.144 C BRANCH 22 38 ATOM 32 O LIG 1 10.391 1.319 -0.015 0.00 0.00 -0.275 OA ATOM 33 C LIG 1 9.295 0.875 0.319 0.00 0.00 +0.219 C ATOM 34 N LIG 1 8.908 -0.382 -0.066 0.00 0.00 -0.255 N ATOM 35 H LIG 1 9.550 -0.861 -0.683 0.00 0.00 +0.158 HD ATOM 36 C LIG 1 7.721 -1.022 0.177 0.00 0.00 +0.240 C ATOM 37 O LIG 1 7.468 -2.101 -0.361 0.00 0.00 -0.273 OA ATOM 38 C LIG 1 6.723 -0.319 1.096 0.00 0.00 +0.163 C ATOM 39 C LIG 1 7.333 0.824 1.903 0.00 0.00 +0.041 C ATOM 40 C LIG 1 8.319 1.685 1.133 0.00 0.00 +0.098 C ENDBRANCH 22 38 ENDBRANCH 1 28 TORSDOF 3