Mrv1652309022210442D 15 17 0 0 1 0 999 V2000 -0.0953 -3.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 -3.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 -2.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -2.1447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6695 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0285 -1.8016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8535 -1.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4056 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 -2.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9154 -2.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -3.0712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 -2.5862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 1 0 0 0 3 15 1 0 0 0 0 7 15 1 0 0 0 0 M END > NP0152295 > NP-MRD > OCC1=NC=C[C@@H]2[C@H]1NC1=CC=CC=C21 > InChI=1S/C12H12N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-6,9,12,14-15H,7H2/t9-,12+/m0/s1 > INDULJXZEHWXFH-JOYOIKCWSA-N > C12H12N2O > 200.241 > 200.094963014 > 3 > 27 > 21.341708579042564 > 1 > 2 > 0 > 1 > [(4aS,9aR)-4aH,9H,9aH-pyrido[3,4-b]indol-1-yl]methanol > 1.11 > 0.827986089666667 > -2.52 > 0 > 3 > 0 > 16.953168187254647 > 14.490894028337447 > 6.114863059644314 > 44.620000000000005 > 60.431500000000014 > 1 > 1 > 6.05e-01 g/l > (4aS,9aR)-4aH,9H,9aH-pyrido[3,4-b]indol-1-ylmethanol > 0 > NP0152295 > (4as,9ar)-4ah,9h,9ah-pyrido[3,4-b]indol-1-ylmethanol $$$$