@MOLECULE BindingDB_17636 29 30 0 0 0 SMALL NO_CHARGES @ATOM 1 C 25.0903 -25.5826 65.6474 C 2 C 25.1956 -24.2059 65.3961 C 3 C 25.4820 -23.7250 64.0968 C 4 C 25.6821 -24.6716 63.0608 C 5 C 25.5083 -26.0556 63.2831 C 6 C 25.2247 -26.5022 64.5939 C 7 N 25.5894 -26.8781 62.2038 N 8 C 25.0852 -28.1426 62.0626 C 9 C 23.7436 -28.3875 62.4439 C 10 C 23.1218 -29.6083 62.1466 C 11 C 23.8201 -30.5906 61.4314 C 12 C 25.1524 -30.3661 61.0449 C 13 C 25.8075 -29.1497 61.3607 C 14 C 27.1757 -28.9926 61.0194 C 15 O 28.0036 -28.2699 61.8064 O 16 O 27.7628 -29.7539 60.0673 O 17 C 25.4948 -22.2557 63.8518 C 18 F 25.8905 -21.8897 62.5867 F 19 F 24.2290 -21.7558 64.0371 F 20 F 26.3346 -21.6260 64.7373 F 21 H 24.9041 -25.9116 66.5970 H 22 H 25.0595 -23.5521 66.1720 H 23 H 25.8808 -24.3485 62.1110 H 24 H 25.1321 -27.4996 64.7970 H 25 H 25.9533 -26.4847 61.3945 H 26 H 23.1930 -27.6620 62.9098 H 27 H 22.1566 -29.7730 62.4371 H 28 H 23.3601 -31.4714 61.2000 H 29 H 25.6420 -31.1142 60.5464 H @BOND 1 1 2 2 2 1 6 1 3 2 3 1 4 3 4 2 5 3 17 1 6 4 5 1 7 5 6 2 8 5 7 1 9 7 8 1 10 8 9 2 11 8 13 1 12 9 10 1 13 10 11 2 14 11 12 1 15 12 13 2 16 13 14 1 17 14 15 2 18 14 16 1 19 17 18 1 20 17 19 1 21 17 20 1 22 1 21 1 23 2 22 1 24 4 23 1 25 6 24 1 26 7 25 1 27 9 26 1 28 10 27 1 29 11 28 1 30 12 29 1 @PROPERTY_DATA Total_Score | 4.7719 Crash | -0.7693 Polar | 2.5712 FragIndex | 1 FragRMSD | 0.424