@MOLECULE 37 39 1 SMALL USER_CHARGES @ATOM 1 C1 -2.2035 -6.4721 -3.4779 C.3 1 noname -0.0587 2 C2 -2.2954 -5.2606 -2.5038 C.3 1 noname 0.0095 3 C3 -3.2250 -4.1385 -3.0440 C.3 1 noname -0.0587 4 C4 -0.9519 -4.6981 -2.1339 C.2 1 noname -0.0535 5 C5 -0.0302 -4.2946 -3.1282 C.2 1 noname -0.0600 6 C6 1.2195 -3.7498 -2.7872 C.2 1 noname -0.0489 7 C7 1.5910 -3.5599 -1.4366 C.2 1 noname -0.0510 8 C8 0.6623 -3.9332 -0.4362 C.2 1 noname -0.0489 9 C9 -0.5771 -4.5135 -0.7806 C.2 1 noname -0.0600 10 C10 2.8164 -2.9504 -1.1675 C.2 1 noname -0.0070 11 C11 3.7695 -3.3040 -0.2782 C.2 1 noname 0.0439 12 C12 4.9594 -2.6254 -0.0673 C.2 1 noname -0.0124 13 C13 5.5084 -1.4643 -0.6566 C.2 1 noname -0.0316 14 C14 6.7775 -1.0166 -0.2310 C.2 1 noname -0.0560 15 C15 7.4936 -1.7247 0.7600 C.2 1 noname -0.0456 16 C16 6.9465 -2.8856 1.3440 C.2 1 noname -0.0302 17 C17 5.6790 -3.3101 0.9126 C.2 1 noname -0.0003 18 N1 4.9685 -4.3727 1.2839 N.3 1 noname -0.1342 19 C18 3.8284 -4.3975 0.5710 C.2 1 noname 0.0995 20 O1 3.0100 -5.3383 0.6661 O.2 1 noname -0.2755 21 H1 -2.1333 -7.3957 -2.9034 H 1 noname 0.0236 22 H2 -3.0938 -6.5016 -4.1060 H 1 noname 0.0236 23 H3 -1.3189 -6.3669 -4.1060 H 1 noname 0.0236 24 H4 -2.7076 -5.6463 -1.5714 H 1 noname 0.0346 25 H5 -3.6702 -3.6010 -2.2067 H 1 noname 0.0236 26 H6 -2.6430 -3.4459 -3.6521 H 1 noname 0.0236 27 H7 -4.0138 -4.5814 -3.6521 H 1 noname 0.0236 28 H8 -0.2887 -4.4061 -4.1812 H 1 noname 0.0625 29 H9 1.9109 -3.4703 -3.5821 H 1 noname 0.0629 30 H10 0.9051 -3.7715 0.6140 H 1 noname 0.0629 31 H11 -1.2569 -4.8247 0.0127 H 1 noname 0.0625 32 H12 3.0685 -2.0587 -1.7415 H 1 noname 0.0637 33 H13 4.9611 -0.9223 -1.4278 H 1 noname 0.0629 34 H14 7.2080 -0.1171 -0.6709 H 1 noname 0.0622 35 H15 8.4755 -1.3727 1.0762 H 1 noname 0.0623 36 H16 7.4893 -3.4405 2.1091 H 1 noname 0.0639 37 H17 5.2465 -5.0442 1.9852 H 1 noname 0.1374 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 2 5 5 6 1 6 6 7 2 7 7 8 1 8 8 9 2 9 4 9 1 10 7 10 1 11 10 11 2 12 11 12 1 13 12 13 2 14 13 14 1 15 14 15 2 16 15 16 1 17 16 17 2 18 12 17 1 19 17 18 1 20 18 19 1 21 11 19 1 22 19 20 2 23 1 21 1 24 1 22 1 25 1 23 1 26 2 24 1 27 3 25 1 28 3 26 1 29 3 27 1 30 5 28 1 31 6 29 1 32 8 30 1 33 9 31 1 34 10 32 1 35 13 33 1 36 14 34 1 37 15 35 1 38 16 36 1 39 18 37 1 @SUBSTRUCTURE 1 noname 1