REMARK Name = BDB038565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.392 -0.507 0.436 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.609 -1.139 1.602 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.822 -1.668 1.889 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.877 -1.546 0.994 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.696 -0.870 -0.215 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.421 -0.354 -0.488 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.344 1.332 -0.021 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.431 0.650 0.801 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.127 0.519 0.358 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.992 -0.132 1.028 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.102 0.002 0.172 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.248 0.706 -1.047 0.00 0.00 +0.151 C ATOM 13 O LIG 1 1.115 -0.650 2.121 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.692 1.023 -0.860 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.572 1.692 -1.692 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.898 1.845 -1.265 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 5.931 2.125 1.783 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.803 1.509 0.384 0.00 0.00 +0.081 C BRANCH 18 19 ATOM 19 N LIG 1 6.547 0.243 0.370 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 6.027 -0.447 0.911 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 6.819 -0.295 -0.960 0.00 0.00 +0.085 C BRANCH 21 22 ATOM 22 C LIG 1 7.934 0.470 -1.613 0.00 0.00 +0.003 C ATOM 23 C LIG 1 8.920 -0.224 -2.519 0.00 0.00 +0.005 C ATOM 24 C LIG 1 9.360 0.263 -1.166 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.803 -0.712 -1.181 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -6.044 -0.113 -0.856 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -7.069 -0.056 -1.821 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -6.874 -0.555 -3.110 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.648 -1.127 -3.445 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.631 -1.210 -2.490 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -6.352 0.429 0.469 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -5.729 1.475 1.106 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -4.670 2.321 0.625 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -6.351 1.618 2.309 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -7.324 0.745 2.405 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -7.332 0.005 1.248 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -7.923 -0.475 -4.085 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -8.757 -0.403 -4.887 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.004 -2.375 3.211 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -3.231 -3.869 3.250 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -1.924 -3.304 3.717 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 9