REMARK Name = BDB038588 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.155 0.501 1.226 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.630 1.537 1.958 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.958 1.635 2.206 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.851 0.711 1.673 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.386 -0.333 0.868 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.007 -0.438 0.661 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.782 -0.288 0.444 0.00 0.00 -0.030 A ATOM 8 C LIG 1 2.528 -0.876 0.204 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.398 -0.197 0.624 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -0.012 -0.595 0.514 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.758 0.433 1.075 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.080 1.497 1.601 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -0.359 -1.659 0.035 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.458 1.036 1.263 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.677 1.644 1.496 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.837 0.978 1.079 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 6.072 -1.109 1.123 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.046 -1.012 -0.013 0.00 0.00 +0.081 C BRANCH 18 19 ATOM 19 N LIG 1 5.560 -0.360 -1.219 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 5.822 0.604 -1.028 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 6.633 -1.076 -1.907 0.00 0.00 +0.085 C BRANCH 21 22 ATOM 22 C LIG 1 8.010 -0.482 -1.597 0.00 0.00 +0.003 C ATOM 23 C LIG 1 9.186 -1.104 -2.393 0.00 0.00 +0.005 C ATOM 24 C LIG 1 9.079 0.068 -3.385 0.00 0.00 +0.001 C ATOM 25 C LIG 1 8.363 0.867 -2.282 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.325 -1.305 0.279 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.507 -1.466 -1.116 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -6.382 -2.461 -1.595 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.098 -3.276 -0.716 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.939 -3.109 0.659 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.060 -2.138 1.148 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -4.806 -0.664 -2.119 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.898 0.693 -2.308 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -5.729 1.646 -1.625 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -4.088 0.990 -3.362 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -3.558 -0.111 -3.832 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -4.022 -1.151 -3.064 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -7.993 -4.275 -1.221 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.734 -5.078 -1.615 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -4.453 2.778 3.060 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.953 2.503 4.461 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.655 3.227 4.265 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9