REMARK Name = BDB024347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.904 -1.076 -0.422 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.237 -2.328 0.379 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.205 -2.256 1.396 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.543 -3.387 2.141 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.929 -4.608 1.871 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.986 -4.702 0.851 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.647 -3.572 0.103 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.393 -1.003 -0.788 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.382 -0.538 0.253 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.045 -0.389 1.159 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.026 -1.336 -1.897 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.754 -0.302 0.276 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.202 0.097 1.484 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.527 0.361 1.599 0.00 0.00 +0.137 A ATOM 15 C LIG 1 4.450 0.212 0.570 0.00 0.00 +0.070 A ATOM 16 C LIG 1 3.955 -0.159 -0.674 0.00 0.00 +0.029 A ATOM 17 C LIG 1 2.592 -0.432 -0.823 0.00 0.00 +0.046 A BRANCH 15 18 ATOM 18 N LIG 1 5.813 0.589 0.789 0.00 0.00 -0.190 N ATOM 19 S LIG 1 6.151 2.238 0.544 0.00 0.00 +0.114 S ATOM 20 O LIG 1 5.950 2.524 -0.858 0.00 0.00 -0.138 OA ATOM 21 O LIG 1 5.577 3.029 1.603 0.00 0.00 -0.138 OA ATOM 22 N LIG 1 7.826 2.006 0.793 0.00 0.00 -0.165 NA ATOM 23 C LIG 1 8.246 2.053 2.208 0.00 0.00 +0.133 C ATOM 24 C LIG 1 8.164 0.708 0.130 0.00 0.00 +0.131 C ATOM 25 C LIG 1 6.918 -0.210 0.202 0.00 0.00 +0.150 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.752 -1.027 -1.630 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.398 -1.740 -2.272 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.760 0.265 -2.328 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -3.361 2.713 -2.449 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.241 1.500 -1.517 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.540 1.322 -0.744 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.681 1.936 0.512 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.859 1.797 1.250 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.920 1.045 0.740 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.798 0.440 -0.513 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.618 0.582 -1.251 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -8.127 0.896 1.497 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.103 0.778 2.115 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9