REMARK Name = BDB024344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.077 -2.662 -0.298 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.833 -4.098 0.146 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.425 -5.158 -0.558 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.212 -6.481 -0.166 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.402 -6.762 0.933 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.797 -5.723 1.636 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.008 -4.399 1.245 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.823 -2.092 -1.019 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.045 -1.313 -0.190 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.415 -1.154 0.742 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.588 -2.345 -2.199 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.120 -0.613 -0.473 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.566 0.136 0.554 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 2.694 0.870 0.357 0.00 0.00 +0.137 A ATOM 15 C LIG 1 3.441 0.877 -0.820 0.00 0.00 +0.070 A ATOM 16 C LIG 1 2.934 0.106 -1.867 0.00 0.00 +0.029 A ATOM 17 C LIG 1 1.773 -0.655 -1.694 0.00 0.00 +0.046 A BRANCH 15 18 ATOM 18 N LIG 1 4.590 1.715 -1.049 0.00 0.00 -0.190 N ATOM 19 S LIG 1 5.217 2.667 0.199 0.00 0.00 +0.114 S ATOM 20 O LIG 1 4.351 3.781 0.484 0.00 0.00 -0.138 OA ATOM 21 O LIG 1 5.714 1.788 1.231 0.00 0.00 -0.138 OA ATOM 22 N LIG 1 6.542 3.174 -0.730 0.00 0.00 -0.165 NA ATOM 23 C LIG 1 7.601 3.867 0.011 0.00 0.00 +0.133 C ATOM 24 C LIG 1 6.990 1.992 -1.501 0.00 0.00 +0.131 C ATOM 25 C LIG 1 5.709 1.224 -1.903 0.00 0.00 +0.150 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.465 -1.807 0.865 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.116 -2.355 1.432 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.162 -0.587 0.419 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -4.336 -0.176 2.662 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.406 0.400 1.585 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -3.927 1.728 1.050 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.221 1.858 0.522 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.666 3.087 0.023 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.823 4.201 0.041 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -3.530 4.081 0.558 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -3.086 2.853 1.057 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -5.282 5.458 -0.472 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -5.665 6.471 -0.890 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9