REMARK Name = BDB059848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.846 0.005 -0.651 0.00 0.00 -0.018 A ATOM 2 C LIG 1 1.141 0.982 0.110 0.00 0.00 -0.011 A ATOM 3 C LIG 1 -0.268 0.855 0.267 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.962 1.847 0.998 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.307 2.926 1.587 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.066 3.042 1.456 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.939 -0.249 -0.320 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -0.225 -1.208 -1.041 0.00 0.00 +0.026 A ATOM 9 C LIG 1 1.777 2.086 0.728 0.00 0.00 +0.009 A ATOM 10 C LIG 1 1.147 -1.078 -1.211 0.00 0.00 +0.008 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.337 0.066 -0.902 0.00 0.00 +0.207 C BRANCH 11 12 ATOM 12 S LIG 1 4.205 -0.810 0.400 0.00 0.00 +0.001 S ATOM 13 O LIG 1 4.123 -0.056 1.637 0.00 0.00 -0.169 OA ATOM 14 O LIG 1 3.851 -2.218 0.357 0.00 0.00 -0.169 OA BRANCH 12 18 ATOM 15 C LIG 1 8.555 -0.528 -0.995 0.00 0.00 +0.120 A ATOM 16 C LIG 1 7.737 -1.575 -1.432 0.00 0.00 +0.047 A ATOM 17 C LIG 1 6.410 -1.671 -1.009 0.00 0.00 +0.030 A ATOM 18 C LIG 1 5.899 -0.697 -0.149 0.00 0.00 +0.089 A ATOM 19 C LIG 1 6.707 0.346 0.309 0.00 0.00 +0.030 A ATOM 20 C LIG 1 8.036 0.430 -0.120 0.00 0.00 +0.047 A BRANCH 15 22 ATOM 21 C LIG 1 10.721 0.454 -1.037 0.00 0.00 +0.277 C ATOM 22 O LIG 1 9.829 -0.558 -1.489 0.00 0.00 -0.495 OA ENDBRANCH 15 22 ENDBRANCH 12 18 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 7 23 ATOM 23 N LIG 1 -2.360 -0.448 -0.077 0.00 0.00 -0.189 N BRANCH 23 24 ATOM 24 S LIG 1 -3.309 -0.539 -1.492 0.00 0.00 +0.075 S ATOM 25 O LIG 1 -2.828 0.443 -2.444 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -3.425 -1.929 -1.884 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -4.914 0.022 -0.982 0.00 0.00 +0.109 A ATOM 28 C LIG 1 -5.968 -0.884 -0.842 0.00 0.00 +0.032 A ATOM 29 C LIG 1 -7.227 -0.424 -0.442 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -7.436 0.936 -0.200 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -6.378 1.836 -0.372 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -5.118 1.387 -0.770 0.00 0.00 +0.032 A BRANCH 30 33 ATOM 33 O LIG 1 -8.609 1.509 0.204 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -9.730 0.645 0.352 0.00 0.00 +0.277 C ENDBRANCH 30 33 ENDBRANCH 24 27 ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 -2.680 -1.284 1.132 0.00 0.00 +0.203 C ATOM 36 C LIG 1 -2.710 -2.786 0.859 0.00 0.00 +0.042 C BRANCH 35 37 ATOM 37 C LIG 1 -3.955 -0.854 1.840 0.00 0.00 +0.327 C ATOM 38 O LIG 1 -4.872 -1.576 2.202 0.00 0.00 -0.249 OA BRANCH 37 39 ATOM 39 O LIG 1 -4.011 0.470 2.095 0.00 0.00 -0.479 OA ATOM 40 H LIG 1 -4.892 0.601 2.506 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 23 35 ENDBRANCH 7 23 TORSDOF 11