REMARK Name = BDB045191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.439 -0.805 -1.031 0.00 0.00 -0.047 A ATOM 2 C LIG 1 -0.347 0.030 -0.764 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.909 -0.504 -0.454 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.095 -1.884 -0.421 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.014 -2.720 -0.708 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.241 -2.189 -1.017 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.792 -0.210 -1.345 0.00 0.00 +0.041 C BRANCH 7 11 ATOM 8 N LIG 1 -6.018 -0.350 0.476 0.00 0.00 -0.299 N ATOM 9 C LIG 1 -5.163 -0.405 1.657 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.728 -0.416 1.099 0.00 0.00 +0.120 C ATOM 11 C LIG 1 -3.905 -0.687 -0.407 0.00 0.00 +0.026 C ATOM 12 C LIG 1 -5.256 -0.033 -0.717 0.00 0.00 +0.112 C BRANCH 8 16 ATOM 13 C LIG 1 -9.809 1.683 -1.591 0.00 0.00 +0.066 C ATOM 14 C LIG 1 -9.144 1.161 -0.355 0.00 0.00 +0.043 A ATOM 15 N LIG 1 -7.901 0.653 -0.490 0.00 0.00 -0.220 NA ATOM 16 C LIG 1 -7.280 0.188 0.609 0.00 0.00 +0.218 A ATOM 17 N LIG 1 -7.853 0.188 1.824 0.00 0.00 -0.223 NA ATOM 18 C LIG 1 -9.092 0.701 1.923 0.00 0.00 +0.116 A ATOM 19 C LIG 1 -9.792 1.208 0.858 0.00 0.00 +0.043 A ENDBRANCH 8 16 BRANCH 10 20 ATOM 20 C LIG 1 -3.055 0.904 1.410 0.00 0.00 +0.310 C ATOM 21 O LIG 1 -3.538 2.003 1.188 0.00 0.00 -0.251 OA BRANCH 20 22 ATOM 22 O LIG 1 -1.819 0.771 1.944 0.00 0.00 -0.480 OA ATOM 23 H LIG 1 -1.480 -0.146 1.971 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 10 20 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 O LIG 1 2.258 -2.543 -0.138 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 3.428 -1.777 0.165 0.00 0.00 +0.235 C BRANCH 25 26 ATOM 26 C LIG 1 4.164 -1.377 -1.112 0.00 0.00 +0.100 C BRANCH 26 27 ATOM 27 C LIG 1 5.303 -0.467 -0.837 0.00 0.00 +0.086 A ATOM 28 C LIG 1 5.473 0.857 -1.182 0.00 0.00 +0.126 A ATOM 29 C LIG 1 4.668 1.850 -1.915 0.00 0.00 +0.088 C ATOM 30 O LIG 1 6.683 1.265 -0.698 0.00 0.00 -0.440 OA ATOM 31 C LIG 1 7.195 0.154 -0.077 0.00 0.00 +0.228 A ATOM 32 N LIG 1 6.402 -0.901 -0.132 0.00 0.00 -0.214 NA BRANCH 31 33 ATOM 33 C LIG 1 8.508 0.291 0.547 0.00 0.00 +0.037 A ATOM 34 C LIG 1 9.221 1.500 0.522 0.00 0.00 +0.013 A ATOM 35 C LIG 1 10.477 1.602 1.128 0.00 0.00 +0.001 A ATOM 36 C LIG 1 11.035 0.497 1.768 0.00 0.00 +0.000 A ATOM 37 C LIG 1 10.341 -0.711 1.802 0.00 0.00 +0.001 A ATOM 38 C LIG 1 9.086 -0.811 1.195 0.00 0.00 +0.013 A ENDBRANCH 31 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 10