REMARK Name = BDB057015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.388 1.787 -0.965 0.00 0.00 +0.091 A ATOM 2 S LIG 1 -0.452 2.752 0.181 0.00 0.00 +0.027 S ATOM 3 N LIG 1 -1.732 3.142 -0.790 0.00 0.00 -0.213 NA ATOM 4 C LIG 1 -1.585 2.541 -1.972 0.00 0.00 +0.058 A ATOM 5 C LIG 1 -0.369 1.788 -2.123 0.00 0.00 +0.056 A ENDROOT BRANCH 1 6 ATOM 6 N LIG 1 1.569 1.140 -0.786 0.00 0.00 -0.290 N ATOM 7 H LIG 1 1.938 0.605 -1.570 0.00 0.00 +0.154 HD BRANCH 6 11 ATOM 8 C LIG 1 2.623 2.192 3.792 0.00 0.00 +0.067 C ATOM 9 C LIG 1 3.020 1.477 2.532 0.00 0.00 +0.057 A ATOM 10 N LIG 1 2.143 1.625 1.470 0.00 0.00 -0.232 NA ATOM 11 C LIG 1 2.396 1.042 0.321 0.00 0.00 +0.167 A ATOM 12 C LIG 1 3.609 0.247 0.201 0.00 0.00 +0.179 A ATOM 13 N LIG 1 4.460 0.117 1.269 0.00 0.00 -0.295 N ATOM 14 C LIG 1 5.497 -0.683 0.843 0.00 0.00 +0.076 A ATOM 15 C LIG 1 5.191 -0.984 -0.474 0.00 0.00 +0.140 A ATOM 16 N LIG 1 4.013 -0.402 -0.871 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 4.152 0.750 2.458 0.00 0.00 +0.116 A BRANCH 14 18 ATOM 18 C LIG 1 6.754 -1.183 1.600 0.00 0.00 +0.038 A ATOM 19 C LIG 1 7.127 -0.933 2.897 0.00 0.00 +0.115 A ATOM 20 N LIG 1 8.307 -1.598 3.088 0.00 0.00 -0.284 N ATOM 21 H LIG 1 8.876 -1.641 3.929 0.00 0.00 +0.188 HD ATOM 22 N LIG 1 8.729 -2.262 2.001 0.00 0.00 -0.182 NA ATOM 23 C LIG 1 7.782 -2.009 1.095 0.00 0.00 +0.144 A ENDBRANCH 14 18 ENDBRANCH 6 11 ENDBRANCH 1 6 BRANCH 4 24 ATOM 24 C LIG 1 -2.650 2.742 -3.010 0.00 0.00 +0.111 C BRANCH 24 25 ATOM 25 C LIG 1 -3.089 1.366 -3.456 0.00 0.00 +0.048 A ATOM 26 N LIG 1 -3.680 0.566 -2.534 0.00 0.00 -0.247 NA ATOM 27 C LIG 1 -4.045 -0.687 -2.904 0.00 0.00 +0.126 A ATOM 28 C LIG 1 -3.888 -1.161 -4.200 0.00 0.00 +0.033 A ATOM 29 C LIG 1 -3.304 -0.325 -5.147 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -2.896 0.953 -4.773 0.00 0.00 +0.024 A BRANCH 27 31 ATOM 31 C LIG 1 -4.681 -1.577 -1.873 0.00 0.00 +0.265 C ATOM 32 N LIG 1 -4.448 -1.371 -0.506 0.00 0.00 -0.296 N ATOM 33 C LIG 1 -5.224 -2.152 0.453 0.00 0.00 +0.108 C ATOM 34 C LIG 1 -5.454 -1.379 1.746 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -4.142 -0.963 2.413 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -2.970 -0.898 1.436 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -3.411 -0.484 0.036 0.00 0.00 +0.108 C ATOM 38 O LIG 1 -5.405 -2.492 -2.276 0.00 0.00 -0.268 OA ENDBRANCH 27 31 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 6