REMARK Name = BDB056938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.906 0.902 -1.499 0.00 0.00 +0.200 C ATOM 2 O LIG 1 2.050 1.009 -2.715 0.00 0.00 -0.286 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 3.070 1.014 -0.579 0.00 0.00 +0.107 A ATOM 4 C LIG 1 2.999 1.737 0.709 0.00 0.00 +0.348 A ATOM 5 O LIG 1 1.985 2.310 1.087 0.00 0.00 -0.244 OA ATOM 6 O LIG 1 4.154 1.740 1.489 0.00 0.00 -0.422 OA ATOM 7 C LIG 1 5.354 1.159 1.041 0.00 0.00 +0.139 A ATOM 8 C LIG 1 5.418 0.527 -0.198 0.00 0.00 +0.020 A ATOM 9 C LIG 1 6.628 -0.032 -0.615 0.00 0.00 +0.044 A ATOM 10 C LIG 1 7.753 0.053 0.224 0.00 0.00 +0.127 A ATOM 11 C LIG 1 7.674 0.691 1.472 0.00 0.00 +0.036 A ATOM 12 C LIG 1 6.462 1.249 1.882 0.00 0.00 +0.049 A ATOM 13 C LIG 1 4.217 0.467 -1.014 0.00 0.00 +0.030 A BRANCH 10 14 ATOM 14 N LIG 1 9.027 -0.537 -0.209 0.00 0.00 +0.056 N ATOM 15 O LIG 1 9.046 -1.124 -1.300 0.00 0.00 -0.126 OA ATOM 16 O LIG 1 10.003 -0.415 0.543 0.00 0.00 -0.126 OA ENDBRANCH 10 14 ENDBRANCH 1 3 BRANCH 1 20 ATOM 17 C LIG 1 -2.033 0.063 -0.059 0.00 0.00 +0.122 A ATOM 18 C LIG 1 -1.845 0.902 -1.156 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -0.553 1.165 -1.616 0.00 0.00 +0.015 A ATOM 20 C LIG 1 0.555 0.623 -0.950 0.00 0.00 +0.023 A ATOM 21 C LIG 1 0.360 -0.200 0.167 0.00 0.00 +0.015 A ATOM 22 C LIG 1 -0.936 -0.460 0.623 0.00 0.00 +0.046 A BRANCH 17 23 ATOM 23 O LIG 1 -3.295 -0.139 0.416 0.00 0.00 -0.475 OA BRANCH 23 24 ATOM 24 C LIG 1 -3.988 -1.315 -0.064 0.00 0.00 +0.200 C ATOM 25 C LIG 1 -3.441 -2.584 0.604 0.00 0.00 +0.067 C ATOM 26 C LIG 1 -4.000 -1.473 -1.591 0.00 0.00 +0.067 C BRANCH 24 27 ATOM 27 C LIG 1 -5.453 -1.119 0.381 0.00 0.00 +0.351 C ATOM 28 O LIG 1 -6.123 -1.955 0.977 0.00 0.00 -0.246 OA BRANCH 27 29 ATOM 29 O LIG 1 -5.920 0.107 -0.005 0.00 0.00 -0.462 OA BRANCH 29 31 ATOM 30 C LIG 1 -7.309 0.991 1.768 0.00 0.00 +0.048 C ATOM 31 C LIG 1 -7.271 0.413 0.366 0.00 0.00 +0.229 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 1 20 TORSDOF 8