REMARK Name = BDB007038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.336 -0.127 0.595 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.138 -1.191 0.201 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.522 -1.298 0.429 0.00 0.00 +0.058 A ATOM 4 C LIG 1 3.017 -2.503 -0.054 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.306 -2.891 0.008 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 5.145 -2.002 0.591 0.00 0.00 +0.115 A ATOM 7 C LIG 1 4.748 -0.769 1.122 0.00 0.00 -0.023 A ATOM 8 C LIG 1 1.913 -3.359 -0.634 0.00 0.00 +0.025 C ATOM 9 C LIG 1 2.212 -3.751 -2.082 0.00 0.00 +0.019 C ATOM 10 C LIG 1 1.690 -4.604 0.230 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.395 -0.412 1.031 0.00 0.00 +0.030 A ATOM 12 C LIG 1 0.708 -2.390 -0.545 0.00 0.00 +0.126 C ATOM 13 O LIG 1 0.755 0.830 1.250 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.155 -0.240 0.191 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -1.301 4.017 -2.339 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -1.939 3.255 -1.178 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.377 3.093 -1.452 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -3.491 2.548 -2.306 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.982 2.341 -0.338 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -3.315 0.955 -0.059 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.834 1.078 0.115 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.245 1.885 -0.982 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -4.008 0.323 1.195 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 -5.478 0.184 1.099 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 -6.042 -0.178 2.420 0.00 0.00 +0.112 C ATOM 26 C LIG 1 -7.562 -0.388 2.347 0.00 0.00 +0.175 C ATOM 27 O LIG 1 -7.896 -1.406 1.394 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 -7.407 -1.038 0.098 0.00 0.00 +0.175 C ATOM 29 C LIG 1 -5.881 -0.843 0.115 0.00 0.00 +0.112 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 5.756 0.162 1.745 0.00 0.00 +0.074 C BRANCH 30 31 ATOM 31 C LIG 1 6.421 1.075 0.747 0.00 0.00 -0.008 A ATOM 32 C LIG 1 7.627 0.709 0.142 0.00 0.00 +0.127 A ATOM 33 F LIG 1 8.207 -0.457 0.463 0.00 0.00 -0.205 F ATOM 34 C LIG 1 8.247 1.531 -0.794 0.00 0.00 +0.038 A ATOM 35 C LIG 1 7.657 2.744 -1.145 0.00 0.00 +0.003 A ATOM 36 C LIG 1 6.450 3.124 -0.558 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.832 2.295 0.382 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6