REMARK Name = BDB031772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.812 1.814 -1.214 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.827 1.425 -2.141 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.551 1.096 -1.666 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.201 1.146 -0.324 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.172 0.738 -0.278 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.623 0.452 -1.504 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.175 1.551 0.606 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.580 0.681 -2.309 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.703 0.528 -3.303 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.458 1.884 0.145 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.896 -1.921 0.682 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.595 -0.918 -0.252 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.439 0.176 -0.374 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.430 1.397 -1.250 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.206 2.189 -1.664 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.695 2.131 -0.869 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.306 1.395 0.132 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.177 1.672 0.556 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.083 3.175 -1.365 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.954 1.341 -2.674 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.583 0.239 0.433 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.912 -0.727 1.360 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.048 -1.820 1.483 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.220 -3.985 1.658 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.989 -2.947 0.715 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.845 0.656 0.892 0.00 0.00 -0.278 N ATOM 27 H LIG 1 -1.383 0.941 1.747 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.226 0.461 1.134 0.00 0.00 +0.188 A ATOM 29 C LIG 1 -3.661 0.262 2.461 0.00 0.00 +0.256 A ATOM 30 N LIG 1 -4.951 0.036 2.800 0.00 0.00 -0.215 NA ATOM 31 C LIG 1 -5.804 0.006 1.748 0.00 0.00 +0.158 A ATOM 32 C LIG 1 -5.419 0.183 0.413 0.00 0.00 +0.142 A ATOM 33 N LIG 1 -4.123 0.417 0.122 0.00 0.00 -0.210 NA BRANCH 32 34 ATOM 34 N LIG 1 -6.374 0.108 -0.626 0.00 0.00 -0.310 N ATOM 35 C LIG 1 -6.934 -1.264 -0.722 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -7.405 -1.561 -2.155 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -6.345 -1.502 -3.123 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -5.327 -0.536 -2.789 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -5.860 0.616 -1.925 0.00 0.00 +0.134 C ENDBRANCH 32 34 BRANCH 29 40 ATOM 40 O LIG 1 -2.696 0.332 3.457 0.00 0.00 -0.477 OA ATOM 41 C LIG 1 -3.222 0.082 4.756 0.00 0.00 +0.279 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6