REMARK Name = BDB022183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.451 0.876 0.074 0.00 0.00 +0.083 C ATOM 2 C LIG 1 1.033 0.186 -1.190 0.00 0.00 +0.171 C ATOM 3 C LIG 1 1.366 1.123 -2.384 0.00 0.00 +0.240 C ATOM 4 O LIG 1 1.657 0.657 -3.492 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 1.504 2.474 -2.184 0.00 0.00 -0.269 N ATOM 6 H LIG 1 1.813 3.028 -2.972 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 1.256 3.014 -0.953 0.00 0.00 +0.127 A ATOM 8 N LIG 1 1.414 4.310 -0.558 0.00 0.00 -0.253 N ATOM 9 C LIG 1 1.884 5.429 -1.335 0.00 0.00 +0.174 C ATOM 10 N LIG 1 1.102 4.496 0.741 0.00 0.00 -0.175 NA ATOM 11 C LIG 1 0.701 3.288 1.165 0.00 0.00 +0.066 A ATOM 12 C LIG 1 0.236 3.098 2.561 0.00 0.00 +0.068 C ATOM 13 C LIG 1 0.775 2.326 0.128 0.00 0.00 +0.025 A ENDROOT BRANCH 1 17 ATOM 14 C LIG 1 -3.861 0.407 0.299 0.00 0.00 +0.162 A ATOM 15 C LIG 1 -3.026 -0.304 1.175 0.00 0.00 +0.162 A ATOM 16 C LIG 1 -1.639 -0.123 1.076 0.00 0.00 +0.053 A ATOM 17 C LIG 1 -1.070 0.765 0.139 0.00 0.00 -0.034 A ATOM 18 C LIG 1 -1.928 1.465 -0.720 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -3.309 1.298 -0.626 0.00 0.00 +0.050 A BRANCH 15 20 ATOM 20 O LIG 1 -3.627 -1.116 2.100 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -2.786 -1.896 2.941 0.00 0.00 +0.277 C ENDBRANCH 15 20 BRANCH 14 22 ATOM 22 O LIG 1 -5.232 0.357 0.280 0.00 0.00 -0.488 OA BRANCH 22 23 ATOM 23 C LIG 1 -5.787 -0.959 0.345 0.00 0.00 +0.229 C BRANCH 23 25 ATOM 24 C LIG 1 -6.940 -0.696 -1.895 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -7.117 -0.966 -0.408 0.00 0.00 +0.038 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 14 22 ENDBRANCH 1 17 BRANCH 2 26 ATOM 26 N LIG 1 2.273 -0.571 -0.931 0.00 0.00 -0.299 N ATOM 27 H LIG 1 2.943 -0.581 -1.694 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 2.261 -1.681 -0.112 0.00 0.00 +0.245 C ATOM 29 O LIG 1 1.288 -2.009 0.558 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 3.500 -2.507 -0.099 0.00 0.00 +0.037 A ATOM 31 C LIG 1 4.760 -1.958 -0.376 0.00 0.00 +0.016 A ATOM 32 C LIG 1 5.907 -2.764 -0.347 0.00 0.00 -0.050 A ATOM 33 C LIG 1 7.251 -2.184 -0.675 0.00 0.00 +0.044 C ATOM 34 C LIG 1 5.777 -4.127 -0.055 0.00 0.00 +0.003 A ATOM 35 C LIG 1 4.526 -4.674 0.237 0.00 0.00 +0.001 A ATOM 36 C LIG 1 3.390 -3.865 0.222 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 7