REMARK Name = BDB053316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.879 0.490 -1.257 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.086 -0.186 -1.970 0.00 0.00 -0.303 N ATOM 3 H LIG 1 0.458 0.275 -2.794 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.198 0.184 -0.106 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -1.520 1.684 -1.998 0.00 0.00 +0.156 C ATOM 6 C LIG 1 -0.531 2.835 -2.107 0.00 0.00 +0.038 C BRANCH 5 8 ATOM 7 C LIG 1 -3.924 1.515 -1.494 0.00 0.00 +0.236 C ATOM 8 N LIG 1 -2.699 2.099 -1.245 0.00 0.00 -0.303 N ATOM 9 H LIG 1 -2.533 2.478 -0.315 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -4.144 0.794 -2.470 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -4.978 1.737 -0.402 0.00 0.00 +0.185 C BRANCH 11 14 ATOM 12 C LIG 1 -8.077 2.681 -2.351 0.00 0.00 +0.109 C ATOM 13 C LIG 1 -6.854 2.889 -1.501 0.00 0.00 +0.211 C ATOM 14 N LIG 1 -6.291 1.716 -1.050 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -6.478 0.900 -1.618 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -6.403 4.000 -1.254 0.00 0.00 -0.276 OA ENDBRANCH 11 14 BRANCH 11 17 ATOM 17 C LIG 1 -4.832 0.607 0.625 0.00 0.00 +0.204 C BRANCH 17 18 ATOM 18 O LIG 1 -4.678 1.147 1.929 0.00 0.00 -0.284 OA BRANCH 18 19 ATOM 19 P LIG 1 -3.373 0.818 2.793 0.00 0.00 +0.472 P ATOM 20 O LIG 1 -3.390 1.229 4.226 0.00 0.00 -0.228 OA BRANCH 19 21 ATOM 21 O LIG 1 -2.116 1.332 1.959 0.00 0.00 -0.303 OA ATOM 22 H LIG 1 -1.819 0.680 1.275 0.00 0.00 +0.222 HD ENDBRANCH 19 21 BRANCH 19 23 ATOM 23 O LIG 1 -3.215 -0.769 2.687 0.00 0.00 -0.303 OA ATOM 24 H LIG 1 -3.392 -1.162 3.566 0.00 0.00 +0.222 HD ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 7 11 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 1.035 -1.065 -1.296 0.00 0.00 +0.156 C ATOM 26 C LIG 1 1.273 -2.331 -2.108 0.00 0.00 +0.038 C BRANCH 25 27 ATOM 27 C LIG 1 2.352 -0.276 -1.148 0.00 0.00 +0.234 C ATOM 28 N LIG 1 3.215 -0.766 -0.193 0.00 0.00 -0.302 N ATOM 29 H LIG 1 3.057 -1.719 0.130 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 2.616 0.697 -1.855 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 4.611 -0.339 -0.164 0.00 0.00 +0.163 C BRANCH 31 32 ATOM 32 C LIG 1 5.415 -1.266 -1.094 0.00 0.00 +0.231 C ATOM 33 O LIG 1 5.023 -2.375 -1.454 0.00 0.00 -0.274 OA ATOM 34 N LIG 1 6.644 -0.810 -1.481 0.00 0.00 -0.328 N ATOM 35 H LIG 1 6.861 0.178 -1.465 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 7.109 -1.364 -2.190 0.00 0.00 +0.145 HD ENDBRANCH 31 32 BRANCH 31 37 ATOM 37 C LIG 1 5.199 -0.302 1.256 0.00 0.00 +0.067 C BRANCH 37 38 ATOM 38 C LIG 1 4.911 -1.524 2.102 0.00 0.00 -0.045 A ATOM 39 C LIG 1 3.877 -1.496 3.049 0.00 0.00 +0.004 A ATOM 40 C LIG 1 3.588 -2.623 3.818 0.00 0.00 +0.000 A ATOM 41 C LIG 1 4.325 -3.794 3.645 0.00 0.00 +0.000 A ATOM 42 C LIG 1 5.356 -3.833 2.709 0.00 0.00 +0.000 A ATOM 43 C LIG 1 5.651 -2.703 1.942 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 28 31 ENDBRANCH 25 27 ENDBRANCH 2 25 TORSDOF 15