REMARK Name = BDB015965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.320 2.343 0.292 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -0.615 1.270 1.131 0.00 0.00 +0.132 A ATOM 3 N LIG 1 0.271 0.272 1.339 0.00 0.00 -0.212 NA ATOM 4 C LIG 1 1.457 0.322 0.703 0.00 0.00 +0.162 A ATOM 5 N LIG 1 1.819 1.307 -0.136 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 0.919 2.294 -0.318 0.00 0.00 +0.127 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -2.896 6.848 -0.525 0.00 0.00 +0.075 C ATOM 8 C LIG 1 -2.458 5.441 -0.351 0.00 0.00 +0.099 A ATOM 9 S LIG 1 -0.818 5.065 -0.006 0.00 0.00 -0.051 S ATOM 10 C LIG 1 -1.277 3.406 0.016 0.00 0.00 +0.137 A ATOM 11 N LIG 1 -2.561 3.212 -0.224 0.00 0.00 -0.141 NA ATOM 12 N LIG 1 -3.243 4.389 -0.442 0.00 0.00 -0.146 NA ENDBRANCH 1 10 BRANCH 4 13 ATOM 13 C LIG 1 2.412 -0.780 0.936 0.00 0.00 +0.020 A ATOM 14 C LIG 1 3.647 -0.840 0.257 0.00 0.00 +0.020 A ATOM 15 C LIG 1 4.566 -1.883 0.466 0.00 0.00 -0.014 A ATOM 16 C LIG 1 4.244 -2.890 1.382 0.00 0.00 +0.008 A ATOM 17 C LIG 1 3.031 -2.858 2.069 0.00 0.00 +0.001 A ATOM 18 C LIG 1 2.129 -1.815 1.847 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 5.834 -1.922 -0.243 0.00 0.00 +0.020 A ATOM 20 C LIG 1 6.064 -1.398 -1.500 0.00 0.00 +0.116 A ATOM 21 N LIG 1 7.370 -1.663 -1.795 0.00 0.00 -0.274 N ATOM 22 C LIG 1 8.076 -1.312 -3.003 0.00 0.00 +0.172 C ATOM 23 N LIG 1 8.015 -2.330 -0.822 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 7.080 -2.487 0.119 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 4 13 BRANCH 2 25 ATOM 25 N LIG 1 -1.816 1.256 1.861 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -2.602 1.577 1.290 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.162 0.018 2.558 0.00 0.00 +0.118 C BRANCH 27 28 ATOM 28 C LIG 1 -2.686 -1.091 1.616 0.00 0.00 +0.103 C BRANCH 28 29 ATOM 29 N LIG 1 -3.900 -0.680 0.871 0.00 0.00 -0.298 NA ATOM 30 C LIG 1 -4.963 -1.694 0.977 0.00 0.00 +0.107 C ATOM 31 C LIG 1 -6.117 -1.439 0.026 0.00 0.00 +0.181 C ATOM 32 S LIG 1 -5.564 -1.720 -1.641 0.00 0.00 -0.029 S ATOM 33 O LIG 1 -6.244 -0.773 -2.505 0.00 0.00 -0.174 OA ATOM 34 O LIG 1 -5.644 -3.146 -1.901 0.00 0.00 -0.174 OA ATOM 35 C LIG 1 -3.841 -1.282 -1.577 0.00 0.00 +0.181 C ATOM 36 C LIG 1 -3.617 -0.232 -0.505 0.00 0.00 +0.107 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 2 25 TORSDOF 7