REMARK Name = BDB021209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.135 -2.056 -3.122 0.00 0.00 +0.159 A ATOM 2 N LIG 1 0.022 -1.924 -2.397 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.249 -1.030 -1.463 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -1.543 -0.560 -1.582 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.088 0.420 -0.727 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.353 0.905 0.236 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -0.061 0.442 0.368 0.00 0.00 +0.126 A ATOM 8 C LIG 1 0.537 -0.494 -0.400 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -2.122 -1.229 -2.637 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.944 -0.871 -0.120 0.00 0.00 -0.013 A ATOM 11 C LIG 1 2.379 -1.165 1.182 0.00 0.00 +0.009 A ATOM 12 C LIG 1 3.707 -1.526 1.429 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.628 -1.617 0.378 0.00 0.00 -0.030 A ATOM 14 C LIG 1 4.198 -1.334 -0.923 0.00 0.00 +0.006 A ATOM 15 C LIG 1 2.871 -0.969 -1.168 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 6.059 -2.005 0.657 0.00 0.00 +0.142 C BRANCH 16 17 ATOM 17 N LIG 1 6.787 -0.937 1.312 0.00 0.00 -0.297 N ATOM 18 C LIG 1 7.268 -1.006 2.608 0.00 0.00 +0.216 C ATOM 19 O LIG 1 7.100 -1.913 3.405 0.00 0.00 -0.276 OA ATOM 20 C LIG 1 8.096 0.231 2.854 0.00 0.00 +0.097 C ATOM 21 C LIG 1 7.662 1.167 1.732 0.00 0.00 +0.028 C ATOM 22 C LIG 1 7.258 0.229 0.611 0.00 0.00 +0.108 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 24 ATOM 23 N LIG 1 -1.348 -3.680 -5.131 0.00 0.00 -0.189 NA ATOM 24 C LIG 1 -1.231 -2.961 -4.226 0.00 0.00 +0.121 C ENDBRANCH 1 24 BRANCH 5 25 ATOM 25 N LIG 1 -3.387 0.832 -0.935 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -3.763 0.720 -1.870 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.924 1.991 -0.244 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -5.406 2.064 -0.473 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.294 1.174 0.122 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.033 0.012 1.006 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -7.462 -0.268 1.475 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -8.390 0.279 0.509 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -7.658 1.241 -0.136 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -8.201 2.182 -0.987 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -7.331 3.091 -1.590 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -5.955 3.025 -1.332 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -5.149 3.902 -1.948 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 TORSDOF 7