REMARK Name = BDB058012 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.701 1.391 0.792 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.354 0.332 1.431 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -2.709 0.443 1.763 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.425 1.605 1.451 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -2.768 2.662 0.813 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -1.416 2.553 0.476 0.00 0.00 +0.013 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.841 1.746 1.795 0.00 0.00 +0.058 C ATOM 8 C LIG 1 -5.793 0.899 1.385 0.00 0.00 +0.176 C ATOM 9 C LIG 1 -7.230 1.056 1.721 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -7.769 1.908 2.389 0.00 0.00 -0.283 OA ATOM 11 C LIG 1 -7.848 -0.076 1.041 0.00 0.00 +0.068 A ATOM 12 C LIG 1 -6.835 -0.782 0.388 0.00 0.00 +0.152 A ATOM 13 C LIG 1 -7.128 -1.914 -0.350 0.00 0.00 +0.079 A ATOM 14 C LIG 1 -8.477 -2.315 -0.404 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -9.489 -1.592 0.261 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -9.177 -0.451 0.998 0.00 0.00 +0.015 A ATOM 17 O LIG 1 -5.593 -0.217 0.582 0.00 0.00 -0.451 OA BRANCH 13 18 ATOM 18 C LIG 1 -6.117 -2.723 -1.078 0.00 0.00 +0.245 C ATOM 19 O LIG 1 -6.429 -3.752 -1.663 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -4.824 -2.286 -1.091 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -4.523 -1.409 -0.685 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -4.156 -2.819 -1.632 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 4 7 BRANCH 1 25 ATOM 23 N LIG 1 1.542 0.520 1.190 0.00 0.00 -0.311 N ATOM 24 H LIG 1 1.199 0.189 2.082 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 0.734 1.317 0.406 0.00 0.00 +0.244 C ATOM 26 O LIG 1 1.151 1.958 -0.553 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 2.975 0.454 0.955 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 3.326 -0.377 -0.279 0.00 0.00 +0.093 C BRANCH 28 36 ATOM 29 C LIG 1 10.681 -0.834 -0.914 0.00 0.00 +0.044 C ATOM 30 C LIG 1 9.266 -0.379 -1.120 0.00 0.00 -0.048 A ATOM 31 C LIG 1 8.229 -0.984 -0.386 0.00 0.00 +0.033 A ATOM 32 C LIG 1 6.907 -0.570 -0.603 0.00 0.00 +0.089 A ATOM 33 C LIG 1 6.651 0.421 -1.542 0.00 0.00 +0.066 A ATOM 34 N LIG 1 5.291 0.581 -1.503 0.00 0.00 -0.342 N ATOM 35 H LIG 1 4.752 1.235 -2.053 0.00 0.00 +0.167 HD ATOM 36 C LIG 1 4.782 -0.295 -0.575 0.00 0.00 +0.110 A ATOM 37 C LIG 1 7.650 1.036 -2.298 0.00 0.00 +0.028 A ATOM 38 N LIG 1 5.742 -0.999 -0.013 0.00 0.00 -0.232 NA ATOM 39 C LIG 1 8.965 0.610 -2.069 0.00 0.00 +0.005 A ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 1 25 TORSDOF 6