REMARK Name = BDB038717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.658 -0.847 -0.359 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.307 -1.082 -0.070 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.313 -0.484 -0.840 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.634 0.328 -1.862 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.930 0.552 -2.187 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.955 -0.029 -1.451 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.051 -0.710 -0.556 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.113 -0.134 -1.255 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.149 0.654 -2.182 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.345 -0.659 -0.650 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.997 -1.526 0.380 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.975 -2.160 1.122 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.314 -1.902 0.803 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.668 -1.018 -0.246 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.659 -0.387 -0.986 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.513 -1.602 0.490 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.127 -0.763 -0.564 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 6.855 -0.165 0.555 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 6.405 1.202 0.869 0.00 0.00 +0.088 C ATOM 20 C LIG 1 7.582 1.763 1.608 0.00 0.00 +0.008 C ATOM 21 C LIG 1 8.768 0.935 1.253 0.00 0.00 +0.008 C ATOM 22 C LIG 1 8.748 2.399 0.898 0.00 0.00 +0.010 C ATOM 23 C LIG 1 8.304 -0.122 0.300 0.00 0.00 +0.088 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 -5.733 -0.677 1.109 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -4.726 -1.443 0.470 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -4.766 -2.845 0.619 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -5.766 -3.473 1.367 0.00 0.00 +0.019 A ATOM 28 C LIG 1 -6.761 -2.713 1.979 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -6.745 -1.323 1.845 0.00 0.00 +0.031 A BRANCH 24 32 ATOM 30 C LIG 1 -3.692 1.461 2.227 0.00 0.00 +0.152 C ATOM 31 N LIG 1 -4.901 1.695 1.485 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -5.812 0.781 1.013 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -6.813 1.448 0.467 0.00 0.00 -0.129 NA ATOM 34 N LIG 1 -6.537 2.792 0.541 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 -5.385 2.924 1.152 0.00 0.00 +0.225 A ENDBRANCH 24 32 BRANCH 28 36 ATOM 36 C LIG 1 -7.792 -3.355 2.741 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.614 -3.883 3.367 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 1 25 BRANCH 5 38 ATOM 38 C LIG 1 -3.240 1.462 -3.351 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -3.740 0.874 -4.651 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -2.360 1.454 -4.580 0.00 0.00 +0.010 C ENDBRANCH 5 38 TORSDOF 7