REMARK Name = BDB043864 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.343 1.073 -0.025 0.00 0.00 -0.278 N ATOM 2 H LIG 1 2.064 1.303 0.645 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 1.671 1.103 -1.373 0.00 0.00 +0.269 C ATOM 4 O LIG 1 0.875 0.988 -2.300 0.00 0.00 -0.268 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 3.112 1.319 -1.602 0.00 0.00 +0.155 A ATOM 6 C LIG 1 4.211 0.709 -0.916 0.00 0.00 +0.032 A ATOM 7 C LIG 1 5.348 1.267 -1.487 0.00 0.00 +0.067 A ATOM 8 C LIG 1 6.651 0.938 -1.088 0.00 0.00 +0.036 A ATOM 9 C LIG 1 6.804 -0.012 -0.064 0.00 0.00 -0.013 A ATOM 10 C LIG 1 5.669 -0.597 0.516 0.00 0.00 +0.009 A ATOM 11 N LIG 1 4.886 2.123 -2.447 0.00 0.00 -0.276 N ATOM 12 H LIG 1 5.434 2.697 -3.079 0.00 0.00 +0.189 HD ATOM 13 C LIG 1 4.373 -0.254 0.099 0.00 0.00 +0.013 A ATOM 14 N LIG 1 3.551 2.182 -2.538 0.00 0.00 -0.168 NA BRANCH 9 15 ATOM 15 C LIG 1 8.128 -0.392 0.402 0.00 0.00 +0.019 A ATOM 16 C LIG 1 9.268 -0.427 -0.374 0.00 0.00 +0.113 A ATOM 17 N LIG 1 10.277 -0.852 0.441 0.00 0.00 -0.284 N ATOM 18 H LIG 1 11.253 -1.002 0.208 0.00 0.00 +0.188 HD ATOM 19 N LIG 1 9.880 -1.097 1.700 0.00 0.00 -0.182 NA ATOM 20 C LIG 1 8.573 -0.822 1.674 0.00 0.00 +0.142 A ENDBRANCH 9 15 ENDBRANCH 3 5 BRANCH 1 24 ATOM 21 N LIG 1 -2.049 0.354 0.765 0.00 0.00 -0.262 N ATOM 22 N LIG 1 -1.597 0.583 2.022 0.00 0.00 -0.177 NA ATOM 23 C LIG 1 -0.303 0.859 1.845 0.00 0.00 +0.157 A ATOM 24 C LIG 1 0.082 0.833 0.487 0.00 0.00 +0.072 A ATOM 25 C LIG 1 -1.072 0.511 -0.183 0.00 0.00 +0.132 A BRANCH 21 26 ATOM 26 C LIG 1 -3.469 0.029 0.545 0.00 0.00 +0.138 C BRANCH 26 27 ATOM 27 C LIG 1 -3.608 -1.423 0.100 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -3.426 -1.830 -1.232 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.556 -3.173 -1.593 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.866 -4.130 -0.630 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.042 -3.747 0.696 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.912 -2.405 1.060 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -4.139 1.075 -0.372 0.00 0.00 +0.047 C BRANCH 33 34 ATOM 34 C LIG 1 -5.664 0.924 -0.469 0.00 0.00 +0.086 C BRANCH 34 36 ATOM 35 C LIG 1 -7.754 0.561 0.668 0.00 0.00 +0.104 C ATOM 36 N LIG 1 -6.358 0.978 0.828 0.00 0.00 -0.308 NA ATOM 37 C LIG 1 -6.307 2.313 1.428 0.00 0.00 +0.104 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 21 26 ENDBRANCH 1 24 TORSDOF 8