REMARK Name = BDB022418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.880 -2.145 1.972 0.00 0.00 -0.035 A ATOM 2 C LIG 1 0.574 -1.818 1.565 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.208 -0.892 2.278 0.00 0.00 -0.018 A ATOM 4 C LIG 1 0.348 -0.298 3.421 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.640 -0.621 3.841 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.401 -1.540 3.123 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.572 -0.556 1.839 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.531 -1.555 1.629 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -3.819 -1.218 1.215 0.00 0.00 +0.145 A ATOM 10 F LIG 1 -4.714 -2.201 1.022 0.00 0.00 -0.204 F ATOM 11 C LIG 1 -4.200 0.110 0.997 0.00 0.00 +0.069 A ATOM 12 C LIG 1 -3.252 1.110 1.199 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.954 0.778 1.617 0.00 0.00 +0.010 A BRANCH 11 14 ATOM 14 N LIG 1 -5.527 0.340 0.577 0.00 0.00 -0.280 N ATOM 15 H LIG 1 -6.096 -0.494 0.490 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 -6.136 1.551 0.347 0.00 0.00 +0.241 C ATOM 17 O LIG 1 -5.660 2.666 0.517 0.00 0.00 -0.271 OA BRANCH 16 18 ATOM 18 C LIG 1 -7.550 1.435 -0.097 0.00 0.00 +0.064 C ATOM 19 C LIG 1 -7.987 0.521 -0.982 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 -9.397 0.378 -1.496 0.00 0.00 +0.111 C BRANCH 20 21 ATOM 21 N LIG 1 -10.307 1.475 -1.145 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -10.110 2.631 -2.029 0.00 0.00 +0.104 C ATOM 23 C LIG 1 -11.700 1.030 -1.233 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 2.836 -4.462 1.933 0.00 0.00 +0.022 C ATOM 25 C LIG 1 2.700 -3.144 1.168 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 4.071 -2.585 0.756 0.00 0.00 +0.225 C ATOM 27 N LIG 1 3.970 -1.441 -0.006 0.00 0.00 -0.268 N ATOM 28 H LIG 1 3.072 -1.008 -0.173 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 5.122 -3.143 1.064 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 5.019 -0.735 -0.536 0.00 0.00 +0.147 A ATOM 31 N LIG 1 4.758 0.378 -1.226 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 5.966 0.826 -1.598 0.00 0.00 -0.280 N ATOM 33 H LIG 1 6.009 1.681 -2.142 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 7.003 0.038 -1.180 0.00 0.00 +0.041 A ATOM 35 C LIG 1 6.405 -0.991 -0.482 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 8.450 0.312 -1.458 0.00 0.00 +0.037 C ATOM 37 C LIG 1 8.723 0.875 -2.854 0.00 0.00 +0.010 C ATOM 38 C LIG 1 8.757 2.398 -2.709 0.00 0.00 +0.001 C ATOM 39 C LIG 1 8.730 2.698 -1.214 0.00 0.00 +0.001 C ATOM 40 C LIG 1 9.036 1.374 -0.528 0.00 0.00 +0.010 C ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9