REMARK Name = BDB000220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.273 -0.209 0.904 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -3.053 0.953 0.809 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -2.424 2.197 0.699 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.041 2.324 0.683 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -0.253 1.173 0.795 0.00 0.00 +0.044 A ATOM 6 C LIG 1 1.141 1.388 0.785 0.00 0.00 +0.134 A ATOM 7 N LIG 1 1.670 2.617 0.648 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 0.814 3.635 0.541 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -0.520 3.548 0.561 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -0.882 -0.095 0.897 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -2.207 -2.599 0.959 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -2.958 -1.394 1.000 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 2.007 0.272 0.955 0.00 0.00 -0.299 N ATOM 14 H LIG 1 1.764 -0.192 1.823 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 3.396 0.199 0.705 0.00 0.00 +0.032 A ATOM 16 C LIG 1 4.031 0.960 -0.280 0.00 0.00 +0.025 A ATOM 17 C LIG 1 5.399 0.809 -0.551 0.00 0.00 +0.025 A ATOM 18 C LIG 1 6.159 -0.129 0.142 0.00 0.00 +0.034 A ATOM 19 C LIG 1 5.525 -0.925 1.101 0.00 0.00 +0.025 A ATOM 20 C LIG 1 4.159 -0.771 1.369 0.00 0.00 +0.025 A BRANCH 18 21 ATOM 21 N LIG 1 7.535 -0.348 -0.073 0.00 0.00 -0.282 N ATOM 22 H LIG 1 7.961 -1.060 0.506 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 8.377 0.361 -0.911 0.00 0.00 +0.248 C ATOM 24 O LIG 1 8.095 1.353 -1.572 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 9.780 -0.141 -0.956 0.00 0.00 +0.037 A ATOM 26 C LIG 1 10.819 0.789 -1.069 0.00 0.00 +0.013 A ATOM 27 C LIG 1 12.145 0.355 -1.112 0.00 0.00 +0.001 A ATOM 28 C LIG 1 12.435 -1.008 -1.053 0.00 0.00 +0.000 A ATOM 29 C LIG 1 11.401 -1.940 -0.960 0.00 0.00 +0.001 A ATOM 30 C LIG 1 10.073 -1.511 -0.916 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 31 ATOM 31 O LIG 1 -4.412 0.770 0.837 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.246 1.897 0.573 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 -6.701 1.432 0.547 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 -6.948 0.414 -0.574 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 N LIG 1 -8.369 0.044 -0.673 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -8.656 -0.548 -2.000 0.00 0.00 +0.112 C ATOM 37 C LIG 1 -9.943 -1.384 -1.983 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -9.850 -2.528 -1.123 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -8.928 -2.340 -0.041 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -8.806 -0.873 0.404 0.00 0.00 +0.112 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10