REMARK Name = BDB058506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.936 0.826 -0.061 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.088 -0.097 -0.661 0.00 0.00 +0.027 A ATOM 3 S LIG 1 -0.973 -1.396 -1.361 0.00 0.00 -0.091 S ATOM 4 C LIG 1 -2.474 -0.751 -0.865 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.309 0.433 -0.178 0.00 0.00 +0.021 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 0.432 4.356 1.942 0.00 0.00 -0.015 A ATOM 7 C LIG 1 0.774 4.121 0.603 0.00 0.00 +0.009 A ATOM 8 C LIG 1 0.328 2.970 -0.056 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.460 2.030 0.615 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -0.809 2.263 1.950 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -0.363 3.414 2.608 0.00 0.00 +0.009 A BRANCH 6 15 ATOM 12 C LIG 1 1.566 7.058 4.159 0.00 0.00 +0.195 A ATOM 13 O LIG 1 1.553 7.681 2.955 0.00 0.00 -0.470 OA ATOM 14 C LIG 1 1.143 6.763 2.041 0.00 0.00 +0.203 A ATOM 15 C LIG 1 0.894 5.545 2.643 0.00 0.00 +0.020 A ATOM 16 C LIG 1 1.166 5.749 4.026 0.00 0.00 +0.049 A ENDBRANCH 6 15 ENDBRANCH 1 9 BRANCH 2 17 ATOM 17 C LIG 1 1.379 -0.134 -0.739 0.00 0.00 -0.011 A ATOM 18 C LIG 1 2.147 -0.164 0.431 0.00 0.00 +0.009 A ATOM 19 C LIG 1 3.542 -0.181 0.365 0.00 0.00 +0.005 A ATOM 20 C LIG 1 4.199 -0.171 -0.874 0.00 0.00 -0.033 A ATOM 21 C LIG 1 3.431 -0.138 -2.045 0.00 0.00 +0.005 A ATOM 22 C LIG 1 2.034 -0.120 -1.978 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 5.713 -0.176 -0.941 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 N LIG 1 6.323 -1.336 -0.271 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 7.770 -1.159 -0.085 0.00 0.00 +0.085 C ATOM 26 C LIG 1 8.587 -1.297 -1.372 0.00 0.00 +0.015 C ATOM 27 C LIG 1 8.291 -2.616 -2.077 0.00 0.00 +0.002 C ATOM 28 C LIG 1 6.790 -2.812 -2.260 0.00 0.00 +0.015 C ATOM 29 C LIG 1 6.038 -2.615 -0.940 0.00 0.00 +0.085 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 2 17 BRANCH 4 30 ATOM 30 C LIG 1 -3.755 -1.466 -1.182 0.00 0.00 +0.123 C BRANCH 30 31 ATOM 31 N LIG 1 -4.229 -2.172 0.011 0.00 0.00 -0.311 NA ATOM 32 H LIG 1 -3.469 -2.769 0.340 0.00 0.00 +0.122 HD BRANCH 31 33 ATOM 33 C LIG 1 -5.400 -3.009 -0.257 0.00 0.00 +0.084 C BRANCH 33 34 ATOM 34 C LIG 1 -6.694 -2.225 -0.547 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -7.061 -1.262 0.594 0.00 0.00 +0.020 C ATOM 36 C LIG 1 -8.413 -0.595 0.343 0.00 0.00 +0.081 C ATOM 37 N LIG 1 -9.479 -1.578 0.142 0.00 0.00 -0.316 NA ATOM 38 H LIG 1 -9.568 -2.143 0.987 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 -9.176 -2.454 -0.989 0.00 0.00 +0.081 C ATOM 40 C LIG 1 -7.857 -3.200 -0.792 0.00 0.00 +0.020 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 9