REMARK Name = BDB055252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.154 -1.364 -1.281 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -1.003 -0.617 -1.213 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -1.087 0.160 -1.864 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.536 -2.123 -0.394 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 0.950 -1.166 -2.553 0.00 0.00 +0.172 C BRANCH 5 9 ATOM 6 C LIG 1 4.690 1.656 -1.117 0.00 0.00 +0.087 A ATOM 7 C LIG 1 3.459 1.310 -1.773 0.00 0.00 +0.183 A ATOM 8 N LIG 1 2.978 0.040 -1.642 0.00 0.00 -0.282 N ATOM 9 C LIG 1 1.823 0.017 -2.387 0.00 0.00 +0.147 A ATOM 10 N LIG 1 1.626 1.215 -2.913 0.00 0.00 -0.133 NA ATOM 11 C LIG 1 3.655 -0.888 -0.876 0.00 0.00 +0.122 A ATOM 12 C LIG 1 4.798 -0.507 -0.263 0.00 0.00 +0.088 A ATOM 13 N LIG 1 2.665 2.034 -2.525 0.00 0.00 -0.128 NA ATOM 14 N LIG 1 5.335 0.773 -0.398 0.00 0.00 -0.246 NA BRANCH 12 15 ATOM 15 C LIG 1 5.547 -1.479 0.571 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.897 -2.365 1.445 0.00 0.00 +0.010 A ATOM 17 C LIG 1 5.629 -3.266 2.225 0.00 0.00 +0.001 A ATOM 18 C LIG 1 7.019 -3.288 2.149 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.680 -2.406 1.298 0.00 0.00 +0.001 A ATOM 20 C LIG 1 6.949 -1.505 0.519 0.00 0.00 +0.010 A ENDBRANCH 12 15 BRANCH 6 21 ATOM 21 C LIG 1 5.245 3.057 -1.263 0.00 0.00 +0.062 C BRANCH 21 23 ATOM 22 C LIG 1 5.920 5.163 -0.074 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.121 3.864 0.040 0.00 0.00 -0.011 C ATOM 24 C LIG 1 3.661 4.181 0.376 0.00 0.00 +0.007 C ENDBRANCH 21 23 ENDBRANCH 6 21 ENDBRANCH 5 9 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 -1.870 -0.597 -0.021 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 -2.582 -1.974 0.185 0.00 0.00 +0.138 C BRANCH 26 27 ATOM 27 C LIG 1 -3.550 -2.409 -0.952 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -3.557 -3.951 -1.064 0.00 0.00 +0.006 C ATOM 29 C LIG 1 -4.456 -4.442 -2.196 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -5.881 -3.920 -2.047 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -5.905 -2.401 -1.913 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -5.000 -1.916 -0.780 0.00 0.00 +0.006 C ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 O LIG 1 -3.225 -2.025 1.459 0.00 0.00 -0.390 OA ATOM 34 H LIG 1 -3.442 -2.956 1.638 0.00 0.00 +0.210 HD ENDBRANCH 26 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -2.775 0.654 -0.104 0.00 0.00 +0.028 C BRANCH 35 36 ATOM 36 C LIG 1 -3.677 0.979 1.105 0.00 0.00 -0.009 C ATOM 37 C LIG 1 -4.628 2.138 0.725 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -5.152 2.868 1.956 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -4.014 3.524 2.743 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -2.683 2.779 2.617 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -2.888 1.283 2.397 0.00 0.00 +0.003 C ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 2 25 TORSDOF 11