REMARK Name = BDB020010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.492 -0.703 -0.162 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.350 -1.718 0.278 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.595 -1.412 0.844 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.969 -0.062 0.961 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.135 0.972 0.506 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.890 0.635 -0.050 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.491 -2.479 1.312 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -4.269 -3.256 0.421 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -4.217 -3.042 -1.069 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -5.096 -4.270 0.932 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.160 -4.500 2.301 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -5.958 -5.468 2.771 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.411 -3.741 3.188 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.580 -2.736 2.695 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.822 -0.162 -0.711 0.00 0.00 -0.305 N ATOM 16 H LIG 1 1.710 0.676 -0.159 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 0.811 -1.094 -0.771 0.00 0.00 +0.245 C ATOM 18 O LIG 1 0.945 -2.205 -1.272 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.141 -0.419 -1.268 0.00 0.00 +0.100 C ATOM 20 C LIG 1 3.133 -0.314 -2.796 0.00 0.00 +0.033 C BRANCH 19 27 ATOM 21 C LIG 1 7.106 0.335 1.776 0.00 0.00 +0.047 C ATOM 22 C LIG 1 6.073 0.872 0.833 0.00 0.00 -0.015 A ATOM 23 C LIG 1 5.994 2.243 0.582 0.00 0.00 +0.126 A ATOM 24 F LIG 1 6.862 3.080 1.168 0.00 0.00 -0.205 F ATOM 25 C LIG 1 5.024 2.767 -0.264 0.00 0.00 +0.039 A ATOM 26 C LIG 1 4.104 1.914 -0.875 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.151 0.528 -0.639 0.00 0.00 -0.027 A ATOM 28 C LIG 1 5.136 0.022 0.228 0.00 0.00 +0.011 A ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 -2.570 2.417 0.659 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 N LIG 1 -2.386 3.178 -0.558 0.00 0.00 -0.295 N ATOM 31 C LIG 1 -1.305 3.977 -0.864 0.00 0.00 +0.296 A ATOM 32 N LIG 1 -0.271 4.290 -0.170 0.00 0.00 -0.250 NA ATOM 33 H LIG 1 -0.326 3.871 0.755 0.00 0.00 +0.191 HD ATOM 34 O LIG 1 -1.422 4.474 -2.156 0.00 0.00 -0.431 OA ATOM 35 C LIG 1 -2.627 3.899 -2.572 0.00 0.00 +0.217 A ATOM 36 C LIG 1 -3.202 3.135 -1.653 0.00 0.00 +0.129 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6