REMARK Name = BDB035902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.685 0.697 -3.941 0.00 0.00 +0.047 C ATOM 2 C LIG 1 1.910 0.672 -2.456 0.00 0.00 -0.007 A ATOM 3 C LIG 1 0.900 0.240 -1.582 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.122 0.219 -0.206 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.045 -0.233 0.695 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -1.236 -0.642 0.051 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -1.288 -0.580 -1.288 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.212 -0.261 1.908 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.355 0.624 0.317 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.379 1.054 -0.539 0.00 0.00 -0.032 A ATOM 11 O LIG 1 -0.294 -0.156 -2.135 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.143 1.078 -1.923 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.393 -1.132 0.824 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.681 -0.609 0.609 0.00 0.00 +0.016 A ATOM 15 C LIG 1 -4.799 -1.082 1.326 0.00 0.00 -0.003 A ATOM 16 C LIG 1 -4.595 -2.090 2.282 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -3.321 -2.607 2.515 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.229 -2.132 1.790 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -6.218 -0.538 1.086 0.00 0.00 +0.198 C ATOM 20 F LIG 1 -7.101 -1.121 1.967 0.00 0.00 -0.228 F BRANCH 19 21 ATOM 21 C LIG 1 -6.282 0.957 1.347 0.00 0.00 +0.175 A ATOM 22 N LIG 1 -6.359 1.989 0.440 0.00 0.00 -0.318 N ATOM 23 C LIG 1 -6.386 1.959 -0.997 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.400 3.141 1.171 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -6.352 2.857 2.446 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -6.279 1.494 2.559 0.00 0.00 -0.131 NA ENDBRANCH 19 21 BRANCH 19 27 ATOM 27 C LIG 1 -6.668 -1.032 -0.293 0.00 0.00 +0.038 C ATOM 28 C LIG 1 -7.326 -2.388 -0.451 0.00 0.00 +0.008 C ATOM 29 C LIG 1 -8.137 -1.139 -0.645 0.00 0.00 +0.008 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 4.712 1.500 0.028 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.382 0.456 0.806 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 5.860 -0.684 0.016 0.00 0.00 +0.088 C ATOM 33 C LIG 1 7.377 -0.743 -0.232 0.00 0.00 +0.000 C ATOM 34 C LIG 1 7.840 0.310 -1.244 0.00 0.00 +0.009 C ATOM 35 C LIG 1 8.167 -0.647 1.085 0.00 0.00 +0.006 C ATOM 36 C LIG 1 7.357 -0.034 2.228 0.00 0.00 +0.016 C ATOM 37 C LIG 1 6.380 1.020 1.719 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6