REMARK Name = BDB031882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.185 2.423 0.983 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.415 2.173 2.135 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.113 1.684 1.979 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.532 1.442 0.742 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.782 0.953 1.032 0.00 0.00 +0.152 A ATOM 6 N LIG 1 0.992 0.902 2.352 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -1.287 1.709 -0.415 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.153 1.346 2.889 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.219 1.394 3.899 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.594 2.200 -0.274 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.226 -1.488 -0.560 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.011 -0.341 0.219 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.758 0.801 -0.026 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.795 2.168 0.598 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.595 2.957 1.084 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.900 2.881 -0.147 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.385 1.999 -1.096 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.136 2.236 -1.725 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.275 4.021 0.068 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.583 2.368 2.071 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.729 0.768 -1.038 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.971 -0.340 -1.820 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.202 -1.482 -1.574 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.549 -3.724 -1.021 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.426 -2.549 -0.230 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.642 0.606 0.046 0.00 0.00 -0.293 N ATOM 27 H LIG 1 1.328 0.693 -0.918 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 2.962 0.107 0.068 0.00 0.00 +0.095 A ATOM 29 C LIG 1 3.621 -0.182 -1.134 0.00 0.00 +0.238 A ATOM 30 N LIG 1 4.879 -0.665 -1.232 0.00 0.00 -0.196 NA ATOM 31 C LIG 1 5.571 -0.888 -0.103 0.00 0.00 +0.131 A ATOM 32 C LIG 1 5.002 -0.628 1.142 0.00 0.00 +0.046 A ATOM 33 C LIG 1 3.695 -0.131 1.223 0.00 0.00 +0.032 A BRANCH 31 34 ATOM 34 N LIG 1 6.886 -1.392 -0.208 0.00 0.00 -0.256 N ATOM 35 C LIG 1 7.578 -1.554 -1.415 0.00 0.00 +0.221 C ATOM 36 O LIG 1 7.216 -1.361 -2.566 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 8.985 -1.986 -1.070 0.00 0.00 +0.098 C ATOM 38 C LIG 1 8.853 -2.507 0.348 0.00 0.00 +0.029 C ATOM 39 C LIG 1 7.727 -1.675 0.925 0.00 0.00 +0.115 C ENDBRANCH 31 34 BRANCH 29 40 ATOM 40 O LIG 1 2.898 0.054 -2.299 0.00 0.00 -0.478 OA ATOM 41 C LIG 1 3.650 -0.238 -3.476 0.00 0.00 +0.279 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6