REMARK Name = BDB007893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.508 0.026 -2.926 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -1.326 0.456 -1.901 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -1.955 -0.647 -1.362 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -1.497 -1.710 -2.131 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -1.932 -3.013 -1.850 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -2.825 -3.214 -0.787 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -3.275 -2.124 -0.028 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.852 -0.817 -0.300 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.625 -1.277 -3.095 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.255 -4.556 -0.459 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -4.561 -4.994 -0.470 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -5.864 -4.377 -0.780 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -4.594 -6.305 -0.107 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -3.310 -6.752 0.146 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -2.509 -5.701 -0.074 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -1.044 -5.835 0.105 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 C LIG 1 0.411 0.903 -3.723 0.00 0.00 +0.079 C BRANCH 17 18 ATOM 18 C LIG 1 1.860 0.399 -3.705 0.00 0.00 +0.043 C BRANCH 18 22 ATOM 19 C LIG 1 3.689 0.827 0.178 0.00 0.00 +0.121 A ATOM 20 C LIG 1 3.800 1.856 -0.753 0.00 0.00 +0.046 A ATOM 21 C LIG 1 3.211 1.721 -2.014 0.00 0.00 +0.007 A ATOM 22 C LIG 1 2.527 0.546 -2.354 0.00 0.00 -0.047 A ATOM 23 C LIG 1 2.450 -0.494 -1.415 0.00 0.00 +0.007 A ATOM 24 C LIG 1 3.036 -0.357 -0.156 0.00 0.00 +0.046 A BRANCH 19 25 ATOM 25 O LIG 1 4.317 0.982 1.384 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 3.387 1.014 2.473 0.00 0.00 +0.229 C BRANCH 26 28 ATOM 27 C LIG 1 4.838 -0.484 3.908 0.00 0.00 +0.007 C ATOM 28 C LIG 1 4.156 0.874 3.786 0.00 0.00 +0.038 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 29 ATOM 29 C LIG 1 -1.505 1.822 -1.437 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 C LIG 1 -0.464 2.204 -0.378 0.00 0.00 +0.106 C BRANCH 30 31 ATOM 31 N LIG 1 -0.623 3.589 0.098 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 -1.734 3.747 1.063 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -1.275 3.808 2.530 0.00 0.00 +0.175 C ATOM 34 O LIG 1 -0.366 4.884 2.792 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 0.423 5.248 1.651 0.00 0.00 +0.175 C ATOM 36 C LIG 1 0.647 4.071 0.691 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 10