REMARK Name = BDB015893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.636 0.386 -0.186 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.298 0.231 -0.231 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.476 1.335 -0.257 0.00 0.00 +0.130 A ATOM 4 C LIG 1 0.077 2.616 -0.213 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.458 2.663 -0.167 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.256 1.578 -0.159 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.689 -1.908 -0.118 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.880 -0.759 -0.132 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.472 -0.832 -0.171 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.897 -2.117 -0.198 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.686 -3.269 -0.188 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.075 -3.164 -0.149 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.306 -0.304 0.770 0.00 0.00 +0.172 C ATOM 14 N LIG 1 8.173 -1.080 0.330 0.00 0.00 -0.274 N ATOM 15 N LIG 1 8.378 -2.240 -0.320 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 7.141 -2.680 -0.565 0.00 0.00 +0.142 A ATOM 17 C LIG 1 6.139 -1.807 -0.079 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.853 -0.777 0.500 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.709 3.836 -0.195 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.405 4.987 -0.895 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.397 5.881 -0.609 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -1.523 7.230 -1.105 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -2.332 5.392 0.224 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.907 4.154 0.485 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.879 1.171 -0.301 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -2.244 1.759 -1.050 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.340 -0.215 -0.428 0.00 0.00 +0.118 C BRANCH 27 28 ATOM 28 C LIG 1 -3.886 -0.255 -0.374 0.00 0.00 +0.103 C BRANCH 28 29 ATOM 29 N LIG 1 -4.486 -1.585 -0.622 0.00 0.00 -0.298 NA ATOM 30 C LIG 1 -4.022 -2.590 0.354 0.00 0.00 +0.107 C ATOM 31 C LIG 1 -4.878 -3.843 0.380 0.00 0.00 +0.181 C ATOM 32 S LIG 1 -6.483 -3.443 1.034 0.00 0.00 -0.029 S ATOM 33 O LIG 1 -6.394 -3.461 2.482 0.00 0.00 -0.174 OA ATOM 34 O LIG 1 -7.461 -4.262 0.343 0.00 0.00 -0.174 OA ATOM 35 C LIG 1 -6.720 -1.754 0.528 0.00 0.00 +0.181 C ATOM 36 C LIG 1 -5.952 -1.500 -0.755 0.00 0.00 +0.107 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7