REMARK Name = BDB022833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.176 1.289 -1.749 0.00 0.00 +0.014 C ATOM 2 C LIG 1 -0.280 0.070 -0.927 0.00 0.00 -0.002 C ATOM 3 C LIG 1 0.052 0.192 0.592 0.00 0.00 +0.151 C ATOM 4 C LIG 1 -1.275 -0.047 1.335 0.00 0.00 +0.166 C ATOM 5 C LIG 1 -2.313 0.568 0.393 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -1.840 0.015 -0.957 0.00 0.00 +0.037 C ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -3.709 0.258 0.658 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -4.755 0.851 -0.016 0.00 0.00 +0.146 A ATOM 9 C LIG 1 -5.941 0.325 0.475 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -7.129 0.804 -0.093 0.00 0.00 +0.129 A ATOM 11 N LIG 1 -7.059 1.733 -1.066 0.00 0.00 -0.220 NA ATOM 12 C LIG 1 -5.839 2.156 -1.453 0.00 0.00 +0.225 A ATOM 13 C LIG 1 -5.589 -0.611 1.484 0.00 0.00 +0.032 A ATOM 14 N LIG 1 -4.638 1.774 -0.987 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -4.213 -0.624 1.582 0.00 0.00 +0.089 A BRANCH 10 16 ATOM 16 N LIG 1 -8.394 0.391 0.303 0.00 0.00 -0.343 N ATOM 17 H LIG 1 -8.454 0.105 1.270 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 -9.094 1.053 -0.013 0.00 0.00 +0.144 HD ENDBRANCH 10 16 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 O LIG 1 0.509 1.504 0.946 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 1.468 1.534 0.753 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 4 21 ATOM 21 O LIG 1 -1.250 0.574 2.617 0.00 0.00 -0.387 OA ATOM 22 H LIG 1 -0.684 1.368 2.499 0.00 0.00 +0.210 HD ENDBRANCH 4 21 BRANCH 2 23 ATOM 23 C LIG 1 0.261 -1.254 -1.540 0.00 0.00 +0.009 C BRANCH 23 24 ATOM 24 C LIG 1 1.734 -1.302 -1.979 0.00 0.00 +0.001 C BRANCH 24 25 ATOM 25 C LIG 1 2.739 -1.054 -0.859 0.00 0.00 +0.006 C BRANCH 25 26 ATOM 26 C LIG 1 4.187 -1.175 -1.347 0.00 0.00 +0.055 C BRANCH 26 27 ATOM 27 C LIG 1 5.188 -0.860 -0.260 0.00 0.00 +0.043 A ATOM 28 N LIG 1 4.871 0.131 0.610 0.00 0.00 -0.237 NA ATOM 29 C LIG 1 5.755 0.456 1.566 0.00 0.00 +0.116 A ATOM 30 C LIG 1 6.986 -0.177 1.683 0.00 0.00 +0.043 A ATOM 31 C LIG 1 7.316 -1.181 0.777 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.407 -1.527 -0.214 0.00 0.00 +0.023 A BRANCH 29 33 ATOM 33 N LIG 1 5.398 1.472 2.458 0.00 0.00 -0.343 N ATOM 34 H LIG 1 6.074 2.226 2.399 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 5.412 1.109 3.407 0.00 0.00 +0.144 HD ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 10