REMARK Name = BDB021382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.115 -0.468 0.014 0.00 0.00 +0.061 A ATOM 2 C LIG 1 -0.814 -0.723 1.230 0.00 0.00 +0.152 A ATOM 3 N LIG 1 -2.184 -0.895 1.140 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -2.649 -1.114 2.417 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -1.531 -1.077 3.218 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -2.891 -0.820 -0.078 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.237 -0.567 -1.178 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.401 -0.830 2.480 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.869 -0.411 -1.105 0.00 0.00 +0.128 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 3.484 -0.362 -0.656 0.00 0.00 +0.148 A ATOM 11 N LIG 1 3.367 0.481 0.385 0.00 0.00 -0.166 NA ATOM 12 N LIG 1 2.050 0.493 0.686 0.00 0.00 -0.266 N ATOM 13 C LIG 1 1.620 1.382 1.743 0.00 0.00 +0.173 C ATOM 14 C LIG 1 1.297 -0.322 -0.126 0.00 0.00 +0.074 A ATOM 15 C LIG 1 2.207 -0.882 -1.001 0.00 0.00 +0.063 A BRANCH 10 21 ATOM 16 C LIG 1 9.187 1.471 0.865 0.00 0.00 +0.105 C ATOM 17 N LIG 1 8.567 1.240 -0.437 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 7.314 2.005 -0.591 0.00 0.00 +0.103 C ATOM 19 C LIG 1 6.016 1.224 -0.301 0.00 0.00 +0.123 C ATOM 20 N LIG 1 5.930 -0.031 -1.056 0.00 0.00 -0.294 N ATOM 21 C LIG 1 4.754 -0.736 -1.325 0.00 0.00 +0.267 C ATOM 22 O LIG 1 4.761 -1.682 -2.118 0.00 0.00 -0.268 OA ATOM 23 C LIG 1 7.192 -0.532 -1.603 0.00 0.00 +0.123 C ATOM 24 C LIG 1 8.371 -0.206 -0.670 0.00 0.00 +0.103 C ENDBRANCH 10 21 ENDBRANCH 1 14 BRANCH 5 25 ATOM 25 C LIG 1 -1.479 -1.248 4.638 0.00 0.00 +0.121 C ATOM 26 N LIG 1 -1.475 -1.385 5.792 0.00 0.00 -0.189 NA ENDBRANCH 5 25 BRANCH 6 27 ATOM 27 N LIG 1 -4.257 -1.005 -0.064 0.00 0.00 -0.310 N ATOM 28 H LIG 1 -4.642 -1.543 0.704 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.998 -1.188 -1.300 0.00 0.00 +0.143 C BRANCH 29 30 ATOM 30 C LIG 1 -6.468 -1.090 -1.015 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -7.096 0.125 -0.757 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.529 1.492 -0.662 0.00 0.00 +0.080 C ATOM 33 C LIG 1 -7.828 2.298 -0.666 0.00 0.00 +0.234 C ATOM 34 O LIG 1 -8.909 1.451 -0.213 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 -8.452 0.183 -0.459 0.00 0.00 +0.124 A ATOM 36 C LIG 1 -9.242 -0.947 -0.399 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -8.636 -2.176 -0.659 0.00 0.00 +0.042 A ATOM 38 C LIG 1 -7.269 -2.238 -0.959 0.00 0.00 +0.129 A ATOM 39 F LIG 1 -6.718 -3.441 -1.179 0.00 0.00 -0.205 F ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 6