REMARK Name = BDB036489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.852 -0.560 1.653 0.00 0.00 +0.142 A ATOM 2 C LIG 1 2.417 0.139 0.550 0.00 0.00 +0.078 A ATOM 3 C LIG 1 1.613 0.995 -0.219 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.276 1.105 0.152 0.00 0.00 +0.171 A ATOM 5 C LIG 1 -0.304 0.433 1.209 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -1.659 0.860 1.181 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -1.875 1.724 0.185 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 -0.659 1.880 -0.456 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 0.495 -0.422 1.990 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.237 -2.113 3.435 0.00 0.00 +0.277 C ATOM 11 O LIG 1 2.744 -1.354 2.345 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 3.784 -0.097 0.248 0.00 0.00 -0.297 N ATOM 13 H LIG 1 4.277 -0.433 1.077 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 4.473 0.112 -0.894 0.00 0.00 +0.123 A ATOM 15 C LIG 1 5.811 0.256 -1.128 0.00 0.00 +0.030 A ATOM 16 C LIG 1 7.111 0.326 -0.465 0.00 0.00 +0.122 C ATOM 17 N LIG 1 8.082 0.207 -1.612 0.00 0.00 -0.306 NA ATOM 18 H LIG 1 8.302 -0.786 -1.691 0.00 0.00 +0.123 HD ATOM 19 C LIG 1 7.351 0.560 -2.890 0.00 0.00 +0.139 C ATOM 20 C LIG 1 5.946 0.392 -2.499 0.00 0.00 +0.083 A ATOM 21 N LIG 1 4.804 0.308 -3.167 0.00 0.00 -0.176 NA ATOM 22 N LIG 1 3.911 0.118 -2.158 0.00 0.00 -0.263 N ATOM 23 H LIG 1 2.941 -0.038 -2.398 0.00 0.00 +0.190 HD ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 24 ATOM 24 N LIG 1 -2.634 0.420 2.065 0.00 0.00 -0.196 N ATOM 25 H LIG 1 -2.450 -0.380 2.661 0.00 0.00 +0.175 HD BRANCH 24 26 ATOM 26 S LIG 1 -4.272 0.723 1.882 0.00 0.00 +0.081 S ATOM 27 O LIG 1 -4.935 -0.154 2.830 0.00 0.00 -0.150 OA ATOM 28 O LIG 1 -4.448 2.157 1.969 0.00 0.00 -0.150 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.663 0.118 0.266 0.00 0.00 +0.191 A ATOM 30 C LIG 1 -4.247 -1.172 -0.100 0.00 0.00 +0.150 A ATOM 31 C LIG 1 -4.488 -1.653 -1.392 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -5.199 -0.876 -2.303 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -5.662 0.384 -1.927 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -5.382 0.890 -0.651 0.00 0.00 +0.150 A BRANCH 30 35 ATOM 35 O LIG 1 -3.548 -1.963 0.778 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -4.344 -3.075 1.201 0.00 0.00 +0.277 C ENDBRANCH 30 35 BRANCH 34 37 ATOM 37 O LIG 1 -5.935 2.090 -0.303 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -5.256 3.178 -0.934 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 8