REMARK Name = BDB032756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.743 0.326 -0.049 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.727 -0.192 -0.838 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.348 0.185 -1.931 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.167 -1.337 -0.113 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.916 -1.524 1.046 0.00 0.00 -0.018 A ATOM 6 C LIG 1 3.597 -2.544 1.923 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.510 -3.369 1.610 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.760 -3.183 0.424 0.00 0.00 -0.010 A ATOM 9 C LIG 1 2.094 -2.140 -0.451 0.00 0.00 +0.020 A ATOM 10 C LIG 1 5.012 -0.515 1.110 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 7.836 3.647 -3.172 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.144 2.963 -2.423 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.317 1.604 -2.346 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.017 1.211 -2.961 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.729 0.725 -1.465 0.00 0.00 +0.240 C ATOM 16 O LIG 1 7.105 -0.446 -1.414 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.702 1.330 -0.495 0.00 0.00 +0.163 C ATOM 18 C LIG 1 5.053 2.572 -1.106 0.00 0.00 +0.041 C ATOM 19 C LIG 1 6.134 3.573 -1.479 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 0.578 -4.071 0.129 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -0.619 -3.404 0.544 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.115 -3.763 1.751 0.00 0.00 +0.406 C ATOM 23 N LIG 1 -2.233 -3.092 2.141 0.00 0.00 -0.234 N ATOM 24 H LIG 1 -2.618 -3.415 3.018 0.00 0.00 +0.160 HD ATOM 25 O LIG 1 -0.630 -4.634 2.467 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -2.951 -2.040 1.576 0.00 0.00 +0.150 A ATOM 27 N LIG 1 -4.054 -1.688 2.261 0.00 0.00 -0.132 NA ATOM 28 N LIG 1 -4.863 -0.652 1.824 0.00 0.00 -0.132 NA ATOM 29 C LIG 1 -4.581 0.029 0.695 0.00 0.00 +0.144 A ATOM 30 C LIG 1 -3.434 -0.312 -0.011 0.00 0.00 +0.049 A ATOM 31 C LIG 1 -2.611 -1.355 0.428 0.00 0.00 +0.049 A BRANCH 29 32 ATOM 32 N LIG 1 -5.394 1.095 0.245 0.00 0.00 -0.314 N ATOM 33 C LIG 1 -6.001 0.811 -1.067 0.00 0.00 +0.106 C ATOM 34 C LIG 1 -6.726 2.056 -1.580 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -7.747 2.564 -0.566 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -7.090 2.780 0.794 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -6.369 1.517 1.266 0.00 0.00 +0.106 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6