REMARK Name = BDB037620 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.171 -1.855 -0.640 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.809 -0.882 -0.407 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.553 0.351 0.164 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.784 1.062 0.180 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.742 0.303 -0.377 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.811 0.745 0.634 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.527 -0.563 1.063 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.157 -0.876 -0.679 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.438 -1.645 -0.045 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.417 -2.346 -0.326 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.011 2.439 0.684 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.303 2.954 0.716 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.533 2.325 0.335 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.598 3.389 0.262 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.934 4.703 0.590 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.221 2.606 -0.966 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.553 4.327 1.182 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.069 3.140 1.060 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.587 4.399 2.659 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.650 4.472 3.817 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.033 -1.941 -1.153 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.456 -1.716 -2.608 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.385 -2.833 -3.057 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.513 -2.932 -2.191 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.152 -3.235 -0.844 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.274 -2.136 -0.266 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.917 -0.376 1.467 0.00 0.00 -0.303 N ATOM 28 H LIG 1 3.648 -0.744 0.850 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 3.276 0.162 2.670 0.00 0.00 +0.217 C ATOM 30 O LIG 1 2.448 0.577 3.477 0.00 0.00 -0.275 OA BRANCH 29 31 ATOM 31 C LIG 1 4.777 0.248 2.946 0.00 0.00 +0.077 C ATOM 32 C LIG 1 5.446 1.316 2.077 0.00 0.00 +0.028 C ATOM 33 C LIG 1 5.663 0.887 0.619 0.00 0.00 +0.085 C ATOM 34 N LIG 1 5.594 -0.570 0.428 0.00 0.00 -0.305 NA ATOM 35 C LIG 1 6.136 -0.949 -0.876 0.00 0.00 +0.104 C ATOM 36 C LIG 1 6.270 -1.274 1.517 0.00 0.00 +0.085 C ATOM 37 C LIG 1 5.469 -1.119 2.814 0.00 0.00 +0.028 C ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 38 ATOM 38 C LIG 1 1.664 1.566 -0.323 0.00 0.00 -0.001 C ATOM 39 C LIG 1 1.905 1.174 -1.763 0.00 0.00 +0.004 C ATOM 40 C LIG 1 1.101 2.404 -1.449 0.00 0.00 +0.004 C ENDBRANCH 6 38 BRANCH 1 42 ATOM 41 C LIG 1 -0.110 -4.306 -0.846 0.00 0.00 +0.025 C ATOM 42 C LIG 1 0.072 -2.977 -1.566 0.00 0.00 +0.112 C ENDBRANCH 1 42 TORSDOF 7