REMARK Name = BDB038738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.914 -0.640 -1.120 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.580 -0.498 -0.724 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.857 0.617 -1.124 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.409 1.577 -1.899 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.700 1.461 -2.297 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.463 0.357 -1.932 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.519 0.815 -0.738 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.254 0.024 0.100 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.024 -0.996 0.705 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.576 0.659 0.175 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.555 1.810 -0.607 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.682 2.605 -0.713 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.833 2.216 -0.017 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.855 1.043 0.775 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.698 0.253 0.873 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.208 1.976 -1.228 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.112 0.646 1.523 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 5.621 -0.675 1.131 0.00 0.00 -0.293 NA ATOM 19 C LIG 1 6.664 -1.181 2.053 0.00 0.00 +0.124 C ATOM 20 C LIG 1 8.095 -1.128 1.489 0.00 0.00 +0.128 C ATOM 21 C LIG 1 8.803 0.238 1.612 0.00 0.00 +0.198 C ATOM 22 O LIG 1 9.502 -0.185 2.809 0.00 0.00 -0.374 OA ATOM 23 C LIG 1 9.154 -1.564 2.526 0.00 0.00 +0.198 C ATOM 24 O LIG 1 8.201 -1.787 0.191 0.00 0.00 -0.366 OA ATOM 25 C LIG 1 6.987 -1.900 -0.560 0.00 0.00 +0.176 C ATOM 26 C LIG 1 6.055 -0.717 -0.279 0.00 0.00 +0.113 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -5.914 -1.665 0.062 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.718 -1.798 -0.685 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -4.297 -3.095 -1.041 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -5.041 -4.224 -0.687 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.231 -4.082 0.026 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.666 -2.806 0.395 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -4.678 0.246 2.225 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -5.856 0.465 1.429 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -6.426 -0.367 0.496 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -7.534 0.203 0.060 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -7.668 1.425 0.677 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -6.654 1.566 1.496 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -7.002 -5.237 0.381 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -7.617 -6.177 0.673 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -4.292 2.557 -3.151 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -5.500 3.327 -2.666 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -4.162 3.999 -2.718 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 7