REMARK Name = BDB022573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.646 0.762 0.351 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -1.317 1.985 0.582 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.559 3.159 0.652 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.832 3.119 0.503 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.508 1.911 0.271 0.00 0.00 -0.013 A ATOM 6 C LIG 1 0.743 0.733 0.196 0.00 0.00 +0.033 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.976 1.871 0.117 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.663 2.766 -0.719 0.00 0.00 +0.131 A ATOM 9 F LIG 1 2.991 3.699 -1.412 0.00 0.00 -0.205 F ATOM 10 C LIG 1 5.047 2.715 -0.872 0.00 0.00 +0.039 A ATOM 11 C LIG 1 5.786 1.755 -0.185 0.00 0.00 +0.008 A ATOM 12 C LIG 1 5.143 0.844 0.662 0.00 0.00 -0.033 A ATOM 13 C LIG 1 3.746 0.914 0.807 0.00 0.00 +0.016 A BRANCH 12 14 ATOM 14 C LIG 1 5.942 -0.207 1.406 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 N LIG 1 6.600 -1.167 0.506 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 7.551 -2.007 1.263 0.00 0.00 +0.113 C ATOM 17 C LIG 1 8.208 -3.062 0.360 0.00 0.00 +0.175 C ATOM 18 O LIG 1 7.223 -3.905 -0.249 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 6.314 -3.114 -1.026 0.00 0.00 +0.175 C ATOM 20 C LIG 1 5.616 -2.053 -0.160 0.00 0.00 +0.113 C ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 5 7 BRANCH 2 21 ATOM 21 N LIG 1 -2.732 1.971 0.683 0.00 0.00 -0.327 N ATOM 22 C LIG 1 -3.364 2.344 -0.612 0.00 0.00 +0.124 C ATOM 23 C LIG 1 -4.643 3.115 -0.208 0.00 0.00 +0.075 C ATOM 24 C LIG 1 -4.153 3.870 1.030 0.00 0.00 +0.039 C ATOM 25 C LIG 1 -3.320 2.811 1.749 0.00 0.00 +0.107 C BRANCH 23 26 ATOM 26 N LIG 1 -5.340 3.941 -1.209 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -5.914 3.106 -2.268 0.00 0.00 +0.104 C ATOM 28 C LIG 1 -4.530 5.004 -1.801 0.00 0.00 +0.104 C ENDBRANCH 23 26 ENDBRANCH 2 21 BRANCH 1 30 ATOM 29 C LIG 1 -1.111 -1.694 0.087 0.00 0.00 +0.248 C ATOM 30 N LIG 1 -1.468 -0.385 0.316 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.445 -0.143 0.458 0.00 0.00 +0.155 HD ATOM 32 O LIG 1 0.006 -2.111 -0.195 0.00 0.00 -0.270 OA BRANCH 29 40 ATOM 33 C LIG 1 -5.485 -3.278 2.065 0.00 0.00 +0.047 C ATOM 34 C LIG 1 -4.348 -3.436 1.101 0.00 0.00 -0.014 A ATOM 35 C LIG 1 -4.286 -4.556 0.265 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.277 -5.460 0.308 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -3.214 -4.761 -0.610 0.00 0.00 -0.014 A ATOM 38 C LIG 1 -3.190 -5.962 -1.506 0.00 0.00 +0.047 C ATOM 39 C LIG 1 -2.190 -3.806 -0.657 0.00 0.00 +0.019 A ATOM 40 C LIG 1 -2.234 -2.673 0.169 0.00 0.00 +0.038 A ATOM 41 C LIG 1 -3.304 -2.502 1.061 0.00 0.00 +0.019 A ENDBRANCH 29 40 ENDBRANCH 1 30 TORSDOF 7