REMARK Name = BDB006346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.781 0.642 -1.034 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.659 -0.142 0.124 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.640 -1.114 0.199 0.00 0.00 +0.001 A ATOM 4 C LIG 1 1.258 -2.050 1.197 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.178 -2.754 0.720 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -0.129 -2.268 -0.528 0.00 0.00 -0.342 N ATOM 7 C LIG 1 0.761 -1.268 -0.878 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.864 -0.479 -2.035 0.00 0.00 +0.027 A ATOM 9 C LIG 1 1.883 0.478 -2.091 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 5.008 1.453 -0.469 0.00 0.00 -0.305 N ATOM 11 H LIG 1 5.171 0.536 -0.077 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 3.840 1.681 -1.164 0.00 0.00 +0.245 C ATOM 13 O LIG 1 3.664 2.655 -1.887 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 5.915 3.650 0.202 0.00 0.00 +0.033 C ATOM 15 C LIG 1 6.145 2.353 -0.580 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 7.409 1.633 -0.133 0.00 0.00 -0.027 A ATOM 17 C LIG 1 8.374 1.267 -1.087 0.00 0.00 +0.007 A ATOM 18 C LIG 1 9.537 0.590 -0.707 0.00 0.00 +0.033 A ATOM 19 C LIG 1 9.738 0.267 0.640 0.00 0.00 +0.126 A ATOM 20 C LIG 1 8.784 0.614 1.604 0.00 0.00 +0.033 A ATOM 21 C LIG 1 7.624 1.291 1.214 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 10.956 -0.445 1.044 0.00 0.00 +0.056 N ATOM 23 O LIG 1 11.085 -0.732 2.244 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 11.783 -0.720 0.164 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 -1.214 -2.783 -1.358 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -2.561 -2.283 -0.898 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -3.475 -3.156 -0.295 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -4.725 -2.694 0.132 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.098 -1.351 -0.032 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -4.176 -0.484 -0.638 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -2.926 -0.941 -1.066 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -6.412 -0.868 0.420 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -6.843 -1.075 1.743 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -8.091 -0.620 2.177 0.00 0.00 +0.027 A ATOM 35 C LIG 1 -8.921 0.059 1.284 0.00 0.00 +0.088 A ATOM 36 C LIG 1 -8.527 0.265 -0.038 0.00 0.00 +0.027 A ATOM 37 C LIG 1 -7.276 -0.194 -0.462 0.00 0.00 +0.010 A BRANCH 35 38 ATOM 38 S LIG 1 -10.514 0.629 1.826 0.00 0.00 -0.006 S ATOM 39 O LIG 1 -10.913 -0.195 2.951 0.00 0.00 -0.170 OA ATOM 40 O LIG 1 -11.359 0.747 0.653 0.00 0.00 -0.170 OA ATOM 41 C LIG 1 -10.177 2.262 2.430 0.00 0.00 +0.200 C ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8