REMARK Name = BDB010958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.813 1.846 -0.780 0.00 0.00 -0.250 N ATOM 2 C LIG 1 -0.431 0.951 0.224 0.00 0.00 +0.284 A ATOM 3 O LIG 1 -1.135 0.111 0.777 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 0.931 1.129 0.623 0.00 0.00 +0.132 A ATOM 5 C LIG 1 1.749 2.100 0.131 0.00 0.00 +0.107 A ATOM 6 C LIG 1 3.020 2.006 0.731 0.00 0.00 +0.103 A ATOM 7 C LIG 1 2.932 0.910 1.599 0.00 0.00 +0.045 A ATOM 8 N LIG 1 1.318 3.013 -0.820 0.00 0.00 -0.234 NA ATOM 9 N LIG 1 1.650 0.406 1.532 0.00 0.00 -0.351 N ATOM 10 H LIG 1 1.293 -0.388 2.051 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 0.086 2.828 -1.204 0.00 0.00 +0.209 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.315 0.794 -1.768 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -3.017 0.773 -1.213 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -2.125 1.841 -1.359 0.00 0.00 +0.142 A ATOM 15 N LIG 1 -2.489 2.923 -2.088 0.00 0.00 -0.237 NA ATOM 16 C LIG 1 -3.725 2.964 -2.624 0.00 0.00 +0.113 A ATOM 17 C LIG 1 -4.650 1.949 -2.486 0.00 0.00 +0.024 A BRANCH 12 21 ATOM 18 C LIG 1 -5.517 -3.602 -3.090 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -5.914 -2.413 -2.239 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.906 -1.033 -2.936 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.362 -0.408 -1.595 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -4.833 -1.853 -1.285 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -6.530 0.055 -0.623 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.508 0.162 0.741 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.435 -0.133 1.648 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -7.738 0.624 1.100 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.472 0.802 0.027 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.709 0.452 -1.060 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 4.208 2.871 0.471 0.00 0.00 +0.421 C ATOM 30 F LIG 1 5.017 2.977 1.562 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.870 4.147 0.145 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.976 2.400 -0.546 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 7 33 ATOM 33 C LIG 1 3.973 0.298 2.483 0.00 0.00 +0.138 C BRANCH 33 34 ATOM 34 N LIG 1 5.141 -0.106 1.694 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 6.304 -0.313 2.570 0.00 0.00 +0.088 C ATOM 36 C LIG 1 7.569 -0.636 1.758 0.00 0.00 +0.000 C ATOM 37 C LIG 1 8.762 -0.872 2.683 0.00 0.00 +0.009 C ATOM 38 C LIG 1 7.336 -1.852 0.855 0.00 0.00 +0.006 C ATOM 39 C LIG 1 6.083 -1.655 0.011 0.00 0.00 +0.016 C ATOM 40 C LIG 1 4.876 -1.302 0.880 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 6