REMARK Name = BDB025506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.687 1.165 -0.271 0.00 0.00 +0.257 C ATOM 2 N LIG 1 -0.339 0.967 0.130 0.00 0.00 -0.185 N ATOM 3 C LIG 1 0.247 0.247 1.194 0.00 0.00 +0.126 A ATOM 4 C LIG 1 1.594 0.191 0.921 0.00 0.00 +0.018 A ATOM 5 C LIG 1 2.731 -0.473 1.608 0.00 0.00 +0.057 C ATOM 6 C LIG 1 4.060 0.194 1.203 0.00 0.00 +0.114 C ATOM 7 N LIG 1 4.150 0.314 -0.295 0.00 0.00 -0.175 NA ATOM 8 C LIG 1 3.118 1.273 -0.849 0.00 0.00 +0.166 C ATOM 9 C LIG 1 1.783 0.990 -0.222 0.00 0.00 +0.084 A ATOM 10 N LIG 1 0.644 1.528 -0.651 0.00 0.00 -0.166 NA ATOM 11 O LIG 1 -1.934 2.012 -1.128 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 19 ATOM 12 C LIG 1 -7.688 -0.505 -0.582 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.534 0.370 -0.171 0.00 0.00 -0.029 A ATOM 14 C LIG 1 -5.221 -0.141 -0.051 0.00 0.00 +0.034 A ATOM 15 N LIG 1 -4.969 -1.491 -0.353 0.00 0.00 -0.343 N ATOM 16 H LIG 1 -5.767 -2.086 -0.152 0.00 0.00 +0.146 HD ATOM 17 C LIG 1 -3.712 -2.040 0.119 0.00 0.00 +0.102 C ATOM 18 C LIG 1 -2.573 -1.140 -0.311 0.00 0.00 +0.036 C ATOM 19 C LIG 1 -2.721 0.237 0.349 0.00 0.00 +0.113 C ATOM 20 C LIG 1 -4.162 0.747 0.247 0.00 0.00 -0.014 A ATOM 21 C LIG 1 -4.451 2.091 0.547 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -5.754 2.574 0.480 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.788 1.721 0.114 0.00 0.00 +0.005 A ENDBRANCH 1 19 BRANCH 3 24 ATOM 24 N LIG 1 -0.402 -0.273 2.271 0.00 0.00 -0.343 N ATOM 25 H LIG 1 -1.088 0.316 2.746 0.00 0.00 +0.144 HD ATOM 26 H LIG 1 0.177 -0.713 2.987 0.00 0.00 +0.144 HD ENDBRANCH 3 24 BRANCH 7 27 ATOM 27 S LIG 1 5.719 0.674 -0.893 0.00 0.00 +0.039 S ATOM 28 O LIG 1 5.574 0.867 -2.321 0.00 0.00 -0.158 OA ATOM 29 O LIG 1 6.210 1.764 -0.071 0.00 0.00 -0.158 OA BRANCH 27 30 ATOM 30 C LIG 1 6.706 -0.758 -0.588 0.00 0.00 +0.199 C ATOM 31 C LIG 1 6.351 -1.991 -1.409 0.00 0.00 +0.190 C ATOM 32 O LIG 1 7.755 -2.190 -1.739 0.00 0.00 -0.376 OA ATOM 33 C LIG 1 8.022 -0.811 -1.353 0.00 0.00 +0.190 C ENDBRANCH 27 30 ENDBRANCH 7 27 TORSDOF 4