REMARK Name = BDB031872 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.840 0.318 -2.370 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.462 1.394 -1.545 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.168 1.411 -1.011 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.225 0.427 -1.270 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.942 0.824 -0.541 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -0.727 1.968 0.116 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.586 -0.640 -2.114 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.539 2.293 -0.181 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.921 3.141 0.220 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.883 -0.673 -2.651 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.008 -0.468 1.695 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.697 -0.580 0.332 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.503 0.047 -0.607 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.471 0.132 -2.107 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.228 0.260 -2.965 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.700 0.941 -2.454 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.312 1.282 -1.261 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.162 1.821 -1.221 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.061 1.228 -3.582 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.028 -1.027 -2.953 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.625 0.761 -0.163 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.964 0.890 1.167 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.137 0.266 2.106 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.374 -1.019 3.923 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.138 -1.122 2.525 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.078 0.087 -0.563 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -2.083 -0.766 -1.117 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.334 0.259 0.059 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -4.351 -0.690 -0.151 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -5.594 -0.637 0.387 0.00 0.00 -0.208 NA ATOM 31 C LIG 1 -5.867 0.420 1.193 0.00 0.00 +0.104 A ATOM 32 C LIG 1 -4.931 1.411 1.464 0.00 0.00 +0.033 A ATOM 33 C LIG 1 -3.660 1.326 0.892 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 P LIG 1 -7.488 0.515 1.912 0.00 0.00 +0.128 P ATOM 35 O LIG 1 -7.758 1.692 2.820 0.00 0.00 -0.315 OA ATOM 36 C LIG 1 -7.806 -1.022 2.788 0.00 0.00 +0.087 C ATOM 37 C LIG 1 -8.696 0.474 0.582 0.00 0.00 +0.087 C ENDBRANCH 31 34 BRANCH 29 38 ATOM 38 O LIG 1 -4.021 -1.754 -0.984 0.00 0.00 -0.478 OA ATOM 39 C LIG 1 -5.090 -2.677 -1.160 0.00 0.00 +0.279 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6