REMARK Name = BDB044773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.338 -0.897 0.496 0.00 0.00 +0.102 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.949 -1.236 1.124 0.00 0.00 -0.308 N ATOM 3 H LIG 1 1.016 -1.078 2.125 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 2.157 -1.272 0.462 0.00 0.00 +0.243 C ATOM 5 O LIG 1 2.287 -1.089 -0.744 0.00 0.00 -0.273 OA BRANCH 4 6 ATOM 6 C LIG 1 3.349 -1.603 1.370 0.00 0.00 +0.213 C BRANCH 6 7 ATOM 7 O LIG 1 3.206 -0.867 2.582 0.00 0.00 -0.295 OA BRANCH 7 8 ATOM 8 P LIG 1 4.170 0.394 2.826 0.00 0.00 +0.331 P ATOM 9 O LIG 1 5.628 0.082 2.752 0.00 0.00 -0.259 OA BRANCH 8 10 ATOM 10 O LIG 1 3.732 0.794 4.321 0.00 0.00 -0.324 OA ATOM 11 H LIG 1 4.116 0.186 4.980 0.00 0.00 +0.220 HD ENDBRANCH 8 10 BRANCH 8 12 ATOM 12 C LIG 1 3.567 1.728 1.823 0.00 0.00 +0.132 C BRANCH 12 13 ATOM 13 C LIG 1 4.249 1.837 0.468 0.00 0.00 +0.047 C BRANCH 13 14 ATOM 14 C LIG 1 3.622 2.914 -0.378 0.00 0.00 -0.047 A ATOM 15 C LIG 1 2.715 2.583 -1.393 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.092 3.584 -2.141 0.00 0.00 +0.000 A ATOM 17 C LIG 1 2.381 4.925 -1.891 0.00 0.00 +0.000 A ATOM 18 C LIG 1 3.297 5.264 -0.895 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.913 4.264 -0.141 0.00 0.00 +0.003 A ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 8 12 ENDBRANCH 7 8 ENDBRANCH 6 7 BRANCH 6 20 ATOM 20 C LIG 1 3.376 -3.088 1.736 0.00 0.00 +0.041 C BRANCH 20 21 ATOM 21 C LIG 1 3.610 -4.044 0.562 0.00 0.00 +0.003 C BRANCH 21 22 ATOM 22 C LIG 1 4.970 -3.860 -0.111 0.00 0.00 -0.003 C ATOM 23 C LIG 1 5.203 -4.910 -1.187 0.00 0.00 +0.004 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 C LIG 1 -0.345 0.578 0.003 0.00 0.00 +0.135 C BRANCH 24 25 ATOM 25 O LIG 1 -0.055 1.442 1.112 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 0.279 2.277 0.733 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -1.613 1.091 -0.700 0.00 0.00 +0.045 C BRANCH 27 28 ATOM 28 C LIG 1 -2.821 1.471 0.183 0.00 0.00 +0.074 C ATOM 29 C LIG 1 -3.498 0.276 0.853 0.00 0.00 +0.017 C BRANCH 28 32 ATOM 30 N LIG 1 -4.808 2.881 0.083 0.00 0.00 -0.315 N ATOM 31 H LIG 1 -4.696 2.942 1.086 0.00 0.00 +0.149 HD ATOM 32 C LIG 1 -3.859 2.214 -0.662 0.00 0.00 +0.216 C ATOM 33 O LIG 1 -3.860 2.202 -1.888 0.00 0.00 -0.276 OA BRANCH 30 34 ATOM 34 C LIG 1 -5.875 3.638 -0.539 0.00 0.00 +0.104 C BRANCH 34 35 ATOM 35 C LIG 1 -5.418 5.037 -0.949 0.00 0.00 +0.018 C BRANCH 35 37 ATOM 36 C LIG 1 -6.113 7.203 -2.037 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -6.556 5.813 -1.609 0.00 0.00 -0.002 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 1 38 ATOM 38 C LIG 1 -0.730 -1.908 -0.602 0.00 0.00 +0.028 C BRANCH 38 39 ATOM 39 C LIG 1 -0.670 -3.396 -0.184 0.00 0.00 -0.009 C ATOM 40 C LIG 1 -1.616 -3.716 0.984 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.616 -5.204 1.329 0.00 0.00 +0.000 C ATOM 42 C LIG 1 -1.934 -6.069 0.115 0.00 0.00 +0.000 C ATOM 43 C LIG 1 -0.989 -5.767 -1.043 0.00 0.00 +0.000 C ATOM 44 C LIG 1 -0.996 -4.284 -1.399 0.00 0.00 +0.003 C ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 21