REMARK Name = BDB013111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.471 -0.134 -0.522 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.424 0.445 -1.408 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -2.745 0.379 -1.040 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -3.442 0.933 -2.073 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -2.607 1.371 -2.988 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -3.178 -0.194 0.159 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.307 -0.735 0.967 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -1.331 1.061 -2.570 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 -0.974 -0.680 0.609 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.725 -0.214 -1.198 0.00 0.00 +0.043 A ATOM 11 N LIG 1 3.114 -1.335 -0.748 0.00 0.00 -0.259 NA ATOM 12 C LIG 1 1.773 -1.276 -0.552 0.00 0.00 +0.119 A ATOM 13 C LIG 1 0.990 -0.141 -0.753 0.00 0.00 +0.005 A ATOM 14 C LIG 1 1.653 0.997 -1.221 0.00 0.00 +0.012 A ATOM 15 C LIG 1 3.030 0.965 -1.443 0.00 0.00 +0.024 A BRANCH 10 16 ATOM 16 C LIG 1 5.216 -0.288 -1.412 0.00 0.00 +0.071 C BRANCH 16 17 ATOM 17 C LIG 1 5.963 -0.180 -0.075 0.00 0.00 +0.091 C BRANCH 17 24 ATOM 18 O LIG 1 10.254 0.983 1.791 0.00 0.00 -0.274 OA ATOM 19 C LIG 1 9.576 0.270 1.052 0.00 0.00 +0.227 C ATOM 20 N LIG 1 10.191 -0.669 0.260 0.00 0.00 -0.313 N ATOM 21 H LIG 1 11.199 -0.585 0.246 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 9.514 -1.233 -0.886 0.00 0.00 +0.119 C ATOM 23 C LIG 1 8.005 -1.392 -0.665 0.00 0.00 +0.103 C ATOM 24 N LIG 1 7.430 -0.105 -0.232 0.00 0.00 -0.292 NA ATOM 25 C LIG 1 8.042 0.291 1.066 0.00 0.00 +0.180 C ENDBRANCH 17 24 ENDBRANCH 16 17 ENDBRANCH 10 16 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 N LIG 1 -4.514 -0.217 0.490 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -4.625 -0.871 1.267 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.174 1.030 0.870 0.00 0.00 +0.140 C BRANCH 28 29 ATOM 29 C LIG 1 -6.561 0.729 1.367 0.00 0.00 -0.024 A ATOM 30 C LIG 1 -7.600 0.397 0.503 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.629 0.327 -0.978 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -8.973 -0.376 -1.168 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -9.789 -0.157 0.004 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -8.875 0.131 0.984 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -9.177 0.175 2.329 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -8.148 0.483 3.217 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -6.853 0.753 2.743 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 7