REMARK Name = BDB004855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.261 -2.249 1.519 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.767 -1.115 1.534 0.00 0.00 -0.030 C ATOM 3 C LIG 1 1.236 -0.567 0.268 0.00 0.00 +0.024 C ATOM 4 C LIG 1 2.278 0.280 0.179 0.00 0.00 +0.011 C ATOM 5 C LIG 1 3.003 0.744 1.422 0.00 0.00 +0.055 C ATOM 6 C LIG 1 2.235 0.515 2.734 0.00 0.00 +0.033 C ATOM 7 C LIG 1 1.228 -0.595 2.686 0.00 0.00 -0.021 C BRANCH 4 8 ATOM 8 N LIG 1 2.669 0.734 -1.068 0.00 0.00 -0.285 N ATOM 9 H LIG 1 2.109 0.419 -1.851 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 3.797 1.481 -1.372 0.00 0.00 +0.248 C ATOM 11 O LIG 1 4.697 1.781 -0.597 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 3.913 1.893 -2.800 0.00 0.00 +0.037 A ATOM 13 C LIG 1 2.788 2.236 -3.562 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.940 2.619 -4.896 0.00 0.00 +0.001 A ATOM 15 C LIG 1 4.212 2.668 -5.469 0.00 0.00 +0.000 A ATOM 16 C LIG 1 5.335 2.345 -4.708 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.188 1.963 -3.374 0.00 0.00 +0.013 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 N LIG 1 -1.403 -1.877 0.659 0.00 0.00 -0.322 N ATOM 19 H LIG 1 -1.946 -2.700 0.411 0.00 0.00 +0.148 HD BRANCH 18 23 ATOM 20 C LIG 1 -5.327 0.915 0.129 0.00 0.00 +0.063 A ATOM 21 C LIG 1 -4.270 0.445 0.937 0.00 0.00 +0.088 A ATOM 22 C LIG 1 -3.369 -0.472 0.361 0.00 0.00 +0.041 A ATOM 23 C LIG 1 -2.322 -0.936 1.185 0.00 0.00 +0.130 A ATOM 24 N LIG 1 -2.178 -0.526 2.451 0.00 0.00 -0.220 NA ATOM 25 C LIG 1 -3.071 0.350 2.904 0.00 0.00 +0.223 A ATOM 26 C LIG 1 -3.528 -0.876 -0.989 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -4.574 -0.402 -1.767 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -4.108 0.846 2.218 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -5.474 0.490 -1.206 0.00 0.00 +0.015 A BRANCH 20 33 ATOM 30 N LIG 1 -6.261 2.363 1.884 0.00 0.00 -0.325 N ATOM 31 H LIG 1 -5.512 2.056 2.499 0.00 0.00 +0.145 HD ATOM 32 H LIG 1 -6.955 3.014 2.221 0.00 0.00 +0.145 HD ATOM 33 C LIG 1 -6.359 1.886 0.611 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -7.279 2.257 -0.111 0.00 0.00 -0.270 OA ENDBRANCH 20 33 ENDBRANCH 18 23 ENDBRANCH 1 18 BRANCH 1 35 ATOM 35 C LIG 1 0.351 -3.556 0.961 0.00 0.00 +0.055 C BRANCH 35 36 ATOM 36 C LIG 1 1.504 -4.098 1.799 0.00 0.00 +0.158 C BRANCH 36 37 ATOM 37 O LIG 1 1.039 -4.426 3.101 0.00 0.00 -0.395 OA ATOM 38 H LIG 1 1.809 -4.744 3.605 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 9