REMARK Name = BDB001999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.261 -0.275 0.355 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.197 0.135 0.122 0.00 0.00 +0.042 A ATOM 3 C LIG 1 1.924 0.879 1.203 0.00 0.00 +0.254 A ATOM 4 O LIG 1 1.389 1.260 2.236 0.00 0.00 -0.268 OA ATOM 5 N LIG 1 3.248 1.158 0.984 0.00 0.00 -0.322 N ATOM 6 H LIG 1 3.710 1.656 1.733 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 3.934 0.842 -0.190 0.00 0.00 +0.049 A ATOM 8 C LIG 1 3.255 0.181 -1.215 0.00 0.00 -0.001 A ATOM 9 C LIG 1 3.934 -0.136 -2.393 0.00 0.00 +0.010 A ATOM 10 C LIG 1 5.281 0.211 -2.539 0.00 0.00 +0.004 A ATOM 11 C LIG 1 5.959 0.886 -1.515 0.00 0.00 -0.048 A ATOM 12 C LIG 1 7.413 1.226 -1.662 0.00 0.00 +0.044 C ATOM 13 C LIG 1 5.278 1.190 -0.329 0.00 0.00 +0.029 A ATOM 14 C LIG 1 1.851 -0.174 -1.018 0.00 0.00 +0.021 A ENDBRANCH 1 2 BRANCH 1 16 ATOM 15 N LIG 1 -0.360 -2.697 1.189 0.00 0.00 -0.225 N ATOM 16 C LIG 1 -0.331 -1.345 1.426 0.00 0.00 +0.173 A ATOM 17 N LIG 1 -0.314 -1.187 2.738 0.00 0.00 -0.111 NA ATOM 18 N LIG 1 -0.373 -2.439 3.292 0.00 0.00 -0.023 NA ATOM 19 N LIG 1 -0.396 -3.370 2.353 0.00 0.00 -0.044 NA BRANCH 15 20 ATOM 20 C LIG 1 -0.247 -3.444 -0.042 0.00 0.00 +0.175 C BRANCH 20 21 ATOM 21 C LIG 1 -1.598 -3.713 -0.688 0.00 0.00 +0.183 C BRANCH 21 23 ATOM 22 C LIG 1 -3.221 -2.793 -2.130 0.00 0.00 +0.194 C ATOM 23 O LIG 1 -1.938 -2.612 -1.538 0.00 0.00 -0.381 OA ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 16 BRANCH 1 24 ATOM 24 N LIG 1 -1.248 0.844 0.547 0.00 0.00 -0.277 NA BRANCH 24 25 ATOM 25 C LIG 1 -0.968 1.981 -0.356 0.00 0.00 +0.128 C BRANCH 25 26 ATOM 26 C LIG 1 -1.779 3.219 -0.051 0.00 0.00 +0.004 A ATOM 27 S LIG 1 -1.557 4.060 1.428 0.00 0.00 -0.100 S ATOM 28 C LIG 1 -2.733 5.229 1.013 0.00 0.00 +0.045 A ATOM 29 C LIG 1 -3.276 5.000 -0.230 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -2.720 3.843 -0.849 0.00 0.00 +0.012 A ENDBRANCH 25 26 ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 C LIG 1 -2.644 0.384 0.331 0.00 0.00 +0.160 C BRANCH 31 32 ATOM 32 C LIG 1 -3.225 -0.399 1.455 0.00 0.00 +0.119 A ATOM 33 O LIG 1 -3.777 -1.609 1.143 0.00 0.00 -0.467 OA ATOM 34 C LIG 1 -4.243 -2.139 2.304 0.00 0.00 +0.195 A ATOM 35 C LIG 1 -4.012 -1.282 3.354 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -3.362 -0.152 2.806 0.00 0.00 +0.046 A ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 10