REMARK Name = BDB034879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.209 -0.260 0.673 0.00 0.00 -0.152 NA ATOM 2 C LIG 1 -0.816 -1.139 -0.060 0.00 0.00 +0.170 A ATOM 3 N LIG 1 -2.131 -1.105 -0.560 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.469 -2.231 -1.304 0.00 0.00 +0.100 A ATOM 5 C LIG 1 -1.510 -3.152 -1.452 0.00 0.00 +0.066 A ATOM 6 S LIG 1 -0.050 -2.674 -0.641 0.00 0.00 -0.060 S ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.055 -0.050 -0.295 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -2.638 1.287 -0.193 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.553 2.313 0.055 0.00 0.00 +0.043 A ATOM 10 CL LIG 1 -3.001 3.940 0.158 0.00 0.00 -0.083 Cl ATOM 11 C LIG 1 -4.907 2.034 0.208 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -5.348 0.718 0.113 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -4.431 -0.309 -0.138 0.00 0.00 +0.026 A ENDBRANCH 3 7 BRANCH 1 15 ATOM 14 O LIG 1 1.277 -1.361 2.010 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 1.054 -0.547 1.123 0.00 0.00 +0.270 C BRANCH 15 16 ATOM 16 C LIG 1 2.163 0.231 0.508 0.00 0.00 +0.051 A ATOM 17 C LIG 1 3.507 -0.155 0.690 0.00 0.00 +0.031 A ATOM 18 C LIG 1 4.472 0.631 0.068 0.00 0.00 +0.139 A ATOM 19 N LIG 1 5.703 0.106 0.352 0.00 0.00 -0.346 N ATOM 20 H LIG 1 6.569 0.500 0.017 0.00 0.00 +0.167 HD ATOM 21 C LIG 1 5.563 -1.006 1.140 0.00 0.00 +0.085 A ATOM 22 N LIG 1 4.279 1.725 -0.691 0.00 0.00 -0.237 NA ATOM 23 C LIG 1 2.977 2.054 -0.827 0.00 0.00 +0.114 A ATOM 24 C LIG 1 4.215 -1.192 1.365 0.00 0.00 +0.030 A ATOM 25 C LIG 1 1.909 1.367 -0.272 0.00 0.00 +0.033 A ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 3