REMARK Name = BDB034342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.703 -0.656 0.020 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.536 -0.015 0.287 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.769 0.414 1.616 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.968 1.039 1.924 0.00 0.00 +0.074 A ATOM 5 C LIG 1 -2.955 1.241 0.960 0.00 0.00 +0.130 A ATOM 6 C LIG 1 -2.736 0.849 -0.355 0.00 0.00 +0.047 A ATOM 7 N LIG 1 0.124 0.249 2.605 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 1.294 -0.353 2.311 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -1.537 0.219 -0.688 0.00 0.00 +0.015 A ATOM 10 C LIG 1 1.626 -0.811 1.054 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 1.087 -1.094 -1.277 0.00 0.00 -0.343 N ATOM 12 H LIG 1 0.263 -1.471 -1.744 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 1.672 -0.025 -2.103 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 3.165 0.176 -1.837 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 3.987 -1.075 -2.168 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 5.428 -0.878 -1.986 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 5.700 0.046 -2.317 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 5.827 -0.993 -0.576 0.00 0.00 +0.120 C BRANCH 18 21 ATOM 19 C LIG 1 9.225 0.206 0.763 0.00 0.00 +0.162 A ATOM 20 C LIG 1 7.840 0.048 0.580 0.00 0.00 +0.163 A ATOM 21 C LIG 1 7.316 -0.800 -0.401 0.00 0.00 +0.011 A ATOM 22 C LIG 1 8.222 -1.520 -1.195 0.00 0.00 +0.009 A ATOM 23 C LIG 1 9.601 -1.372 -1.024 0.00 0.00 +0.004 A ATOM 24 C LIG 1 10.104 -0.509 -0.048 0.00 0.00 +0.049 A BRANCH 19 26 ATOM 25 C LIG 1 10.971 1.268 1.979 0.00 0.00 +0.277 C ATOM 26 O LIG 1 9.577 1.079 1.762 0.00 0.00 -0.491 OA ENDBRANCH 19 26 BRANCH 20 27 ATOM 27 O LIG 1 6.987 0.749 1.396 0.00 0.00 -0.503 OA ATOM 28 H LIG 1 7.573 1.264 1.985 0.00 0.00 +0.292 HD ENDBRANCH 20 27 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 O LIG 1 -4.096 1.899 1.359 0.00 0.00 -0.456 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.300 1.367 0.956 0.00 0.00 +0.128 A ATOM 31 C LIG 1 -5.622 0.023 1.122 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -6.877 -0.445 0.720 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -7.841 0.417 0.159 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -7.495 1.774 0.028 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -6.241 2.246 0.430 0.00 0.00 +0.046 A BRANCH 33 36 ATOM 36 C LIG 1 -9.212 -0.136 -0.271 0.00 0.00 -0.013 C ATOM 37 C LIG 1 -9.018 -1.240 -1.333 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -10.150 0.928 -0.886 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -9.938 -0.731 0.955 0.00 0.00 +0.015 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 12