REMARK Name = BDB031760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.402 0.636 2.323 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.969 -0.656 1.968 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.265 -0.797 1.321 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.097 0.273 1.026 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.234 -0.304 0.373 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -2.110 -1.632 0.290 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.683 1.565 1.401 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.924 -1.896 0.851 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.620 -2.861 0.885 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.555 1.722 2.045 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.003 -0.513 -1.384 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.589 0.183 -0.238 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.224 -0.056 0.972 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.048 0.496 2.359 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.728 0.832 3.022 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.131 -0.186 3.163 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.798 -1.042 2.304 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.574 -1.613 2.600 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.354 -0.002 4.348 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.679 1.932 2.595 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.281 -0.976 1.009 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.717 -1.675 -0.096 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.061 -1.437 -1.308 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.615 -0.923 -3.697 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.299 -0.199 -2.515 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.268 0.459 -0.052 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -3.209 1.464 0.051 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.373 0.130 -0.877 0.00 0.00 +0.170 A ATOM 29 C LIG 1 -5.369 1.098 -1.033 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -6.445 0.728 -1.814 0.00 0.00 +0.162 A ATOM 31 N LIG 1 -6.571 -0.478 -2.402 0.00 0.00 -0.237 NA ATOM 32 C LIG 1 -5.562 -1.341 -2.197 0.00 0.00 +0.128 A ATOM 33 C LIG 1 -5.677 -2.706 -2.800 0.00 0.00 +0.088 C ATOM 34 N LIG 1 -4.475 -1.083 -1.454 0.00 0.00 -0.214 NA BRANCH 29 35 ATOM 35 O LIG 1 -5.177 2.308 -0.422 0.00 0.00 -0.490 OA ATOM 36 C LIG 1 -6.247 3.243 -0.515 0.00 0.00 +0.277 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5