REMARK Name = BDB053206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.917 -1.929 -0.189 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -1.512 -3.124 -0.020 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 -2.844 -3.186 -0.019 0.00 0.00 +0.215 A ATOM 4 N LIG 1 -3.656 -2.154 -0.214 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 -3.074 -0.957 -0.408 0.00 0.00 +0.078 A ATOM 6 C LIG 1 -1.697 -0.806 -0.398 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.003 0.176 -0.619 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -5.240 0.207 0.060 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -6.096 1.294 -0.154 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -5.792 2.343 -1.009 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -6.915 3.208 -0.928 0.00 0.00 +0.146 A ATOM 12 N LIG 1 -7.849 2.748 -0.101 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 -4.566 2.319 -1.696 0.00 0.00 +0.014 A ATOM 14 N LIG 1 -7.329 1.597 0.358 0.00 0.00 -0.275 N ATOM 15 H LIG 1 -7.870 1.058 1.024 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 -3.693 1.236 -1.493 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 -7.048 4.355 -1.611 0.00 0.00 -0.341 N ATOM 18 H LIG 1 -6.552 4.471 -2.485 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -7.989 4.736 -1.634 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 20 C LIG 1 1.049 -2.951 1.998 0.00 0.00 +0.030 C ATOM 21 C LIG 1 1.154 -3.042 0.470 0.00 0.00 +0.097 C ATOM 22 N LIG 1 0.479 -1.891 -0.186 0.00 0.00 -0.307 N ATOM 23 C LIG 1 1.200 -0.604 -0.089 0.00 0.00 +0.148 C ATOM 24 C LIG 1 2.697 -0.773 -0.421 0.00 0.00 +0.221 C ATOM 25 O LIG 1 3.310 -1.845 0.320 0.00 0.00 -0.364 OA ATOM 26 C LIG 1 2.635 -3.080 0.036 0.00 0.00 +0.183 C BRANCH 24 27 ATOM 27 C LIG 1 3.424 0.555 -0.148 0.00 0.00 +0.248 C ATOM 28 N LIG 1 4.724 0.346 0.278 0.00 0.00 -0.283 N ATOM 29 H LIG 1 4.949 -0.630 0.460 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 2.881 1.638 -0.346 0.00 0.00 -0.273 OA BRANCH 28 31 ATOM 31 C LIG 1 5.710 1.302 0.576 0.00 0.00 +0.033 A ATOM 32 C LIG 1 6.934 0.827 1.064 0.00 0.00 +0.023 A ATOM 33 C LIG 1 7.967 1.713 1.382 0.00 0.00 +0.002 A ATOM 34 C LIG 1 7.786 3.083 1.212 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.573 3.564 0.725 0.00 0.00 +0.002 A ATOM 36 C LIG 1 5.539 2.677 0.407 0.00 0.00 +0.023 A ENDBRANCH 28 31 ENDBRANCH 24 27 ENDBRANCH 1 22 BRANCH 3 37 ATOM 37 N LIG 1 -3.424 -4.428 0.148 0.00 0.00 -0.327 N ATOM 38 H LIG 1 -4.336 -4.429 -0.286 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -2.772 -5.141 -0.148 0.00 0.00 +0.145 HD ENDBRANCH 3 37 TORSDOF 6