REMARK Name = BDB038740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.514 -0.687 -0.024 0.00 0.00 +0.129 A ATOM 2 N LIG 1 1.612 -2.015 0.164 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 2.810 -2.646 0.100 0.00 0.00 +0.047 A ATOM 4 C LIG 1 3.966 -1.915 -0.151 0.00 0.00 +0.032 A ATOM 5 C LIG 1 3.909 -0.527 -0.311 0.00 0.00 -0.012 A ATOM 6 C LIG 1 2.648 0.081 -0.261 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.228 1.154 0.296 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -3.388 0.037 0.423 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -2.030 0.221 0.233 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -0.949 -0.772 0.304 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.237 -0.088 0.034 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.003 1.321 -0.216 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -1.178 -1.938 0.566 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -1.474 1.457 -0.073 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -2.279 2.573 -0.201 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -3.658 2.415 -0.015 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 -6.132 1.669 1.823 0.00 0.00 +0.029 C ATOM 18 C LIG 1 -5.734 0.996 0.501 0.00 0.00 +0.084 C BRANCH 18 19 ATOM 19 N LIG 1 -6.496 1.587 -0.619 0.00 0.00 -0.294 NA ATOM 20 C LIG 1 -6.310 0.790 -1.876 0.00 0.00 +0.097 C ATOM 21 C LIG 1 -7.793 0.874 -2.055 0.00 0.00 +0.043 C ATOM 22 C LIG 1 -8.375 1.816 -3.056 0.00 0.00 +0.171 C ATOM 23 O LIG 1 -9.139 0.720 -3.648 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 -8.557 -0.225 -2.701 0.00 0.00 +0.171 C ATOM 25 C LIG 1 -7.931 1.159 -0.592 0.00 0.00 +0.097 C ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 5.133 0.276 -0.513 0.00 0.00 -0.007 A ATOM 27 C LIG 1 6.242 0.236 0.370 0.00 0.00 +0.028 A ATOM 28 C LIG 1 7.393 0.997 0.088 0.00 0.00 +0.031 A ATOM 29 C LIG 1 7.452 1.817 -1.041 0.00 0.00 +0.052 A ATOM 30 C LIG 1 6.362 1.874 -1.907 0.00 0.00 +0.019 A ATOM 31 C LIG 1 5.221 1.109 -1.647 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 6.282 -0.607 1.567 0.00 0.00 +0.164 A ATOM 33 N LIG 1 5.478 -0.511 2.676 0.00 0.00 -0.317 N ATOM 34 C LIG 1 4.457 0.458 2.968 0.00 0.00 +0.152 C ATOM 35 C LIG 1 5.859 -1.517 3.513 0.00 0.00 +0.225 A ATOM 36 N LIG 1 6.855 -2.179 2.977 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 7.132 -1.598 1.763 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 8.626 2.595 -1.308 0.00 0.00 +0.099 C ATOM 39 N LIG 1 9.566 3.240 -1.525 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 2.802 -4.144 0.331 0.00 0.00 +0.038 C ATOM 41 C LIG 1 3.911 -4.832 1.093 0.00 0.00 +0.010 C ATOM 42 C LIG 1 3.755 -5.073 -0.382 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 7