REMARK Name = BDB010553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.281 2.024 0.597 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.392 0.638 0.636 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.235 0.066 1.579 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -2.338 -1.279 1.413 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.541 -1.573 0.414 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -2.909 0.753 2.514 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 -2.693 2.070 2.451 0.00 0.00 +0.220 A ATOM 8 N LIG 1 -0.869 -0.449 -0.037 0.00 0.00 -0.308 N ATOM 9 N LIG 1 -1.931 2.728 1.554 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -0.643 3.475 -4.161 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -0.225 3.515 -2.721 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -0.924 2.772 -1.758 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -0.564 2.810 -0.401 0.00 0.00 +0.003 A ATOM 14 C LIG 1 0.480 3.667 -0.017 0.00 0.00 +0.010 A ATOM 15 C LIG 1 1.172 4.423 -0.964 0.00 0.00 +0.001 A ATOM 16 C LIG 1 0.822 4.346 -2.311 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 5 17 ATOM 17 N LIG 1 -1.431 -2.785 -0.195 0.00 0.00 -0.294 N ATOM 18 C LIG 1 -0.415 -3.749 0.337 0.00 0.00 +0.099 C ATOM 19 C LIG 1 -0.176 -3.642 1.848 0.00 0.00 +0.030 C ATOM 20 C LIG 1 -0.802 -5.199 -0.041 0.00 0.00 +0.182 C ATOM 21 O LIG 1 -2.068 -5.616 0.483 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 -3.052 -4.568 0.486 0.00 0.00 +0.179 C ATOM 23 C LIG 1 -2.740 -3.430 -0.492 0.00 0.00 +0.136 C ENDBRANCH 5 17 BRANCH 7 24 ATOM 24 C LIG 1 -3.372 2.905 3.465 0.00 0.00 +0.287 A ATOM 25 O LIG 1 -4.159 2.240 4.351 0.00 0.00 -0.385 OA ATOM 26 C LIG 1 -4.651 3.219 5.154 0.00 0.00 +0.436 A ATOM 27 O LIG 1 -5.410 3.062 6.093 0.00 0.00 -0.221 OA ATOM 28 N LIG 1 -4.125 4.394 4.694 0.00 0.00 -0.208 N ATOM 29 H LIG 1 -4.306 5.310 5.083 0.00 0.00 +0.195 HD ATOM 30 N LIG 1 -3.314 4.196 3.623 0.00 0.00 -0.127 NA ENDBRANCH 7 24 BRANCH 8 31 ATOM 31 C LIG 1 0.141 -0.437 -1.082 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.539 0.044 -0.635 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.450 0.297 -1.857 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.427 -0.848 -2.103 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.357 -1.089 -0.899 0.00 0.00 -0.014 C ATOM 36 C LIG 1 5.684 -0.346 -1.059 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.697 -0.714 0.439 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.187 -0.911 0.384 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 5