@MOLECULE DB04397 33 33 1 SMALL USER_CHARGES @ATOM 1 V1 -1.7411 -0.5709 -5.0543 V 1 noname 0.5585 2 O1 -0.5219 -1.4363 -6.4569 O.2 1 noname -0.2587 3 O2 -2.9287 -2.0077 -4.2012 O.2 1 noname -0.2587 4 O3 -0.5377 0.3592 -3.5347 O.3 1 noname -0.1926 5 O4 -2.9776 0.9136 -5.9976 O.3 1 noname -0.2044 6 C1 -0.1916 -0.6034 -2.5499 C.3 1 noname 0.0619 7 C2 0.6697 0.0623 -1.4622 C.3 1 noname 0.1108 8 O5 1.8458 0.5601 -2.1650 O.3 1 noname -0.3405 9 C3 0.9421 -0.9639 -0.3069 C.3 1 noname 0.1111 10 C4 3.0066 0.8392 -1.3402 C.3 1 noname 0.2010 11 O6 0.6537 -0.3562 0.9436 O.3 1 noname -0.3874 12 C5 2.4060 -1.4963 -0.3003 C.3 1 noname 0.1134 13 O7 4.0599 1.3304 -2.1560 O.3 1 noname -0.1311 14 C6 3.5007 -0.4158 -0.5512 C.3 1 noname 0.1342 15 O8 2.5365 -2.5343 -1.2604 O.3 1 noname -0.3873 16 P1 3.6055 2.6239 -2.8574 P 1 noname 0.0230 17 O9 4.0551 -0.0065 0.6903 O.3 1 noname -0.3849 18 O10 4.6737 3.1220 -3.6848 O.2 1 noname -0.1947 19 O11 3.2407 3.6810 -1.7987 O.3 1 noname -0.1633 20 O12 2.3737 2.3276 -3.7328 O.3 1 noname -0.1633 21 H1 -3.4159 1.4397 -5.3247 H 1 noname 0.1881 22 H2 -1.1358 -0.9060 -2.0971 H 1 noname 0.0574 23 H3 0.4245 -1.3383 -3.0682 H 1 noname 0.0574 24 H4 0.2356 0.9450 -0.9927 H 1 noname 0.0656 25 H5 0.2527 -1.8046 -0.3848 H 1 noname 0.0657 26 H6 2.7057 1.6507 -0.6775 H 1 noname 0.0960 27 H7 0.5017 -1.0373 1.6029 H 1 noname 0.2106 28 H8 2.5962 -1.9544 0.6703 H 1 noname 0.0658 29 H9 4.3173 -0.8769 -1.1068 H 1 noname 0.0683 30 H10 2.6423 -3.3754 -0.8099 H 1 noname 0.2106 31 H11 4.2865 -0.7809 1.2083 H 1 noname 0.2108 32 H12 3.3679 3.3124 -0.9214 H 1 noname 0.2283 33 H13 1.6175 2.1457 -3.1701 H 1 noname 0.2283 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 4 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 9 12 1 12 10 13 1 13 10 14 1 14 12 15 1 15 12 14 1 16 13 16 1 17 14 17 1 18 16 18 2 19 16 19 1 20 16 20 1 21 5 21 1 22 6 22 1 23 6 23 1 24 7 24 1 25 9 25 1 26 10 26 1 27 11 27 1 28 12 28 1 29 14 29 1 30 15 30 1 31 17 31 1 32 19 32 1 33 20 33 1 @SUBSTRUCTURE 1 noname 1