REMARK Name = BDB005069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.074 1.296 0.624 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -1.996 0.278 0.958 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -1.816 -0.354 2.203 0.00 0.00 +0.088 A ATOM 4 C LIG 1 -2.712 -1.387 2.546 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -3.761 -1.769 1.685 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -3.958 -1.128 0.466 0.00 0.00 -0.032 A ATOM 7 N LIG 1 -0.819 0.034 3.029 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -0.027 1.034 2.628 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -3.067 -0.113 0.113 0.00 0.00 +0.018 A ATOM 10 N LIG 1 -0.104 1.682 1.468 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.632 -2.150 3.832 0.00 0.00 +0.244 C ATOM 12 O LIG 1 -3.464 -3.002 4.126 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 -1.605 -1.882 4.687 0.00 0.00 -0.325 N ATOM 14 H LIG 1 -1.574 -2.355 5.578 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 -0.949 -1.132 4.489 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 -1.206 1.970 -0.606 0.00 0.00 -0.324 N ATOM 17 H LIG 1 -1.297 1.288 -1.353 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -0.202 2.973 -0.946 0.00 0.00 +0.138 C BRANCH 18 21 ATOM 19 C LIG 1 3.041 1.212 -1.967 0.00 0.00 +0.034 A ATOM 20 C LIG 1 2.037 1.815 -1.197 0.00 0.00 +0.028 A ATOM 21 C LIG 1 0.890 2.362 -1.794 0.00 0.00 -0.029 A ATOM 22 C LIG 1 0.753 2.292 -3.187 0.00 0.00 +0.005 A ATOM 23 C LIG 1 1.751 1.700 -3.960 0.00 0.00 +0.002 A ATOM 24 C LIG 1 2.890 1.165 -3.352 0.00 0.00 +0.023 A BRANCH 19 26 ATOM 25 C LIG 1 5.218 -0.015 -1.809 0.00 0.00 +0.248 C ATOM 26 N LIG 1 4.157 0.695 -1.276 0.00 0.00 -0.281 N ATOM 27 H LIG 1 4.132 0.797 -0.271 0.00 0.00 +0.155 HD ATOM 28 O LIG 1 5.350 -0.387 -2.968 0.00 0.00 -0.270 OA BRANCH 25 32 ATOM 29 C LIG 1 8.279 -1.134 0.991 0.00 0.00 +0.120 A ATOM 30 C LIG 1 7.896 -1.997 -0.040 0.00 0.00 +0.046 A ATOM 31 C LIG 1 6.904 -1.624 -0.950 0.00 0.00 +0.016 A ATOM 32 C LIG 1 6.274 -0.383 -0.825 0.00 0.00 +0.037 A ATOM 33 C LIG 1 6.666 0.492 0.197 0.00 0.00 +0.016 A ATOM 34 C LIG 1 7.664 0.114 1.103 0.00 0.00 +0.046 A BRANCH 29 36 ATOM 35 C LIG 1 9.713 -0.775 2.855 0.00 0.00 +0.277 C ATOM 36 O LIG 1 9.260 -1.623 1.808 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 25 32 ENDBRANCH 19 26 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 6 37 ATOM 37 C LIG 1 -5.084 -1.544 -0.458 0.00 0.00 +0.119 C BRANCH 37 38 ATOM 38 N LIG 1 -5.897 -0.410 -0.919 0.00 0.00 -0.294 NA ATOM 39 C LIG 1 -6.730 -0.813 -2.074 0.00 0.00 +0.113 C ATOM 40 C LIG 1 -7.947 0.106 -2.248 0.00 0.00 +0.175 C ATOM 41 O LIG 1 -8.854 0.031 -1.140 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 -8.205 -0.287 0.099 0.00 0.00 +0.175 C ATOM 43 C LIG 1 -6.739 0.171 0.151 0.00 0.00 +0.113 C ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 9