REMARK Name = LIG000635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.314 1.183 -0.465 0.00 0.00 +0.194 C ATOM 2 C LIG 1 -1.235 0.107 -1.071 0.00 0.00 +0.194 C ATOM 3 C LIG 1 -1.155 -1.223 -0.297 0.00 0.00 +0.194 C ATOM 4 C LIG 1 0.302 -1.707 -0.204 0.00 0.00 +0.194 C ATOM 5 C LIG 1 1.193 -0.679 0.502 0.00 0.00 +0.194 C ATOM 6 C LIG 1 1.117 0.682 -0.205 0.00 0.00 +0.194 C ENDROOT BRANCH 4 7 ATOM 7 O LIG 1 0.799 -1.920 -1.522 0.00 0.00 -0.278 OA BRANCH 7 8 ATOM 8 P LIG 1 1.495 -3.330 -1.827 0.00 0.00 +0.473 P ATOM 9 O LIG 1 0.614 -4.525 -1.799 0.00 0.00 -0.228 OA BRANCH 8 10 ATOM 10 O LIG 1 2.208 -3.080 -3.229 0.00 0.00 -0.303 OA ATOM 11 H LIG 1 1.592 -3.204 -3.974 0.00 0.00 +0.222 HD ENDBRANCH 8 10 BRANCH 8 12 ATOM 12 O LIG 1 2.734 -3.378 -0.826 0.00 0.00 -0.303 OA ATOM 13 H LIG 1 3.230 -4.212 -0.925 0.00 0.00 +0.222 HD ENDBRANCH 8 12 ENDBRANCH 7 8 ENDBRANCH 4 7 BRANCH 5 14 ATOM 14 O LIG 1 0.793 -0.583 1.866 0.00 0.00 -0.278 OA BRANCH 14 15 ATOM 15 P LIG 1 1.845 -0.070 2.957 0.00 0.00 +0.473 P ATOM 16 O LIG 1 3.247 0.191 2.511 0.00 0.00 -0.228 OA BRANCH 15 17 ATOM 17 O LIG 1 1.105 1.186 3.603 0.00 0.00 -0.303 OA ATOM 18 H LIG 1 1.677 1.655 4.236 0.00 0.00 +0.222 HD ENDBRANCH 15 17 BRANCH 15 19 ATOM 19 O LIG 1 1.695 -1.148 4.121 0.00 0.00 -0.303 OA ATOM 20 H LIG 1 1.987 -2.037 3.849 0.00 0.00 +0.222 HD ENDBRANCH 15 19 ENDBRANCH 14 15 ENDBRANCH 5 14 BRANCH 3 21 ATOM 21 O LIG 1 -1.746 -1.009 0.978 0.00 0.00 -0.278 OA BRANCH 21 22 ATOM 22 P LIG 1 -2.150 -2.260 1.885 0.00 0.00 +0.473 P ATOM 23 O LIG 1 -1.013 -3.090 2.376 0.00 0.00 -0.228 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.014 -1.611 3.056 0.00 0.00 -0.303 OA ATOM 25 H LIG 1 -2.438 -1.331 3.791 0.00 0.00 +0.222 HD ENDBRANCH 22 24 BRANCH 22 26 ATOM 26 O LIG 1 -3.244 -3.028 1.021 0.00 0.00 -0.303 OA ATOM 27 H LIG 1 -3.917 -2.399 0.664 0.00 0.00 +0.222 HD ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 6 28 ATOM 28 O LIG 1 1.744 1.633 0.638 0.00 0.00 -0.278 OA BRANCH 28 29 ATOM 29 P LIG 1 2.957 2.528 0.123 0.00 0.00 +0.473 P ATOM 30 O LIG 1 2.801 3.060 -1.266 0.00 0.00 -0.228 OA BRANCH 29 31 ATOM 31 O LIG 1 4.201 1.582 0.421 0.00 0.00 -0.303 OA ATOM 32 H LIG 1 4.116 1.163 1.311 0.00 0.00 +0.222 HD ENDBRANCH 29 31 BRANCH 29 33 ATOM 33 O LIG 1 3.027 3.641 1.261 0.00 0.00 -0.303 OA ATOM 34 H LIG 1 2.180 4.149 1.231 0.00 0.00 +0.222 HD ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 6 28 BRANCH 2 35 ATOM 35 O LIG 1 -2.558 0.662 -1.081 0.00 0.00 -0.278 OA BRANCH 35 36 ATOM 36 P LIG 1 -3.818 -0.235 -1.469 0.00 0.00 +0.473 P ATOM 37 O LIG 1 -4.323 -1.195 -0.445 0.00 0.00 -0.228 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.888 0.854 -1.926 0.00 0.00 -0.303 OA ATOM 39 H LIG 1 -5.250 1.343 -1.164 0.00 0.00 +0.222 HD ENDBRANCH 36 38 BRANCH 36 40 ATOM 40 O LIG 1 -3.418 -0.895 -2.864 0.00 0.00 -0.303 OA ATOM 41 H LIG 1 -4.169 -1.380 -3.252 0.00 0.00 +0.222 HD ENDBRANCH 36 40 ENDBRANCH 35 36 ENDBRANCH 2 35 BRANCH 1 42 ATOM 42 O LIG 1 -0.230 2.242 -1.428 0.00 0.00 -0.278 OA BRANCH 42 44 ATOM 43 O LIG 1 0.477 4.085 0.370 0.00 0.00 -0.228 OA ATOM 44 P LIG 1 -0.117 3.764 -0.963 0.00 0.00 +0.473 P BRANCH 44 45 ATOM 45 O LIG 1 0.714 4.410 -2.165 0.00 0.00 -0.303 OA ATOM 46 H LIG 1 1.654 4.104 -2.095 0.00 0.00 +0.222 HD ENDBRANCH 44 45 BRANCH 44 47 ATOM 47 O LIG 1 -1.564 4.363 -1.259 0.00 0.00 -0.303 OA ATOM 48 H LIG 1 -1.704 4.423 -2.221 0.00 0.00 +0.222 HD ENDBRANCH 44 47 ENDBRANCH 42 44 ENDBRANCH 1 42 TORSDOF 24