REMARK Name = BDB002934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.792 -0.929 -0.685 0.00 0.00 -0.066 C ATOM 2 N LIG 1 2.047 -0.488 -1.932 0.00 0.00 +0.453 NA ATOM 3 O LIG 1 0.816 -0.578 -2.687 0.00 0.00 -0.463 OA ATOM 4 C LIG 1 -0.229 -0.584 -1.714 0.00 0.00 +0.064 C ATOM 5 C LIG 1 -1.525 -1.210 -2.221 0.00 0.00 +0.141 C ATOM 6 N LIG 1 -2.584 -0.552 -1.456 0.00 0.00 -0.283 N ATOM 7 C LIG 1 -3.746 -1.236 -1.166 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -4.036 -2.344 -1.610 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -2.091 0.712 -0.882 0.00 0.00 +0.165 C ATOM 10 C LIG 1 -0.666 0.852 -1.420 0.00 0.00 +0.066 C ATOM 11 C LIG 1 0.366 -1.312 -0.521 0.00 0.00 +0.021 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -4.732 -0.615 -0.258 0.00 0.00 +0.044 A ATOM 13 C LIG 1 -5.979 -0.171 -0.750 0.00 0.00 -0.008 A ATOM 14 C LIG 1 -6.310 -0.268 -2.217 0.00 0.00 +0.047 C ATOM 15 C LIG 1 -6.889 0.346 0.192 0.00 0.00 +0.132 A ATOM 16 C LIG 1 -6.583 0.441 1.558 0.00 0.00 +0.065 A ATOM 17 C LIG 1 -5.342 -0.021 2.005 0.00 0.00 +0.129 A ATOM 18 C LIG 1 -4.417 -0.563 1.108 0.00 0.00 +0.046 A BRANCH 15 19 ATOM 19 N LIG 1 -8.213 0.802 -0.215 0.00 0.00 +0.057 N ATOM 20 O LIG 1 -8.543 1.945 0.130 0.00 0.00 -0.126 OA ATOM 21 O LIG 1 -8.929 0.002 -0.831 0.00 0.00 -0.126 OA ENDBRANCH 15 19 BRANCH 17 22 ATOM 22 N LIG 1 -5.013 0.051 3.433 0.00 0.00 +0.057 N ATOM 23 O LIG 1 -3.851 -0.205 3.770 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -5.922 0.366 4.214 0.00 0.00 -0.126 OA ENDBRANCH 17 22 ENDBRANCH 7 12 BRANCH 1 27 ATOM 25 C LIG 1 5.131 -0.621 1.095 0.00 0.00 +0.034 A ATOM 26 C LIG 1 4.126 -0.556 0.118 0.00 0.00 +0.025 A ATOM 27 C LIG 1 2.822 -1.016 0.356 0.00 0.00 -0.062 A ATOM 28 C LIG 1 2.543 -1.558 1.615 0.00 0.00 +0.002 A ATOM 29 C LIG 1 3.533 -1.629 2.600 0.00 0.00 +0.002 A ATOM 30 C LIG 1 4.823 -1.160 2.342 0.00 0.00 +0.023 A BRANCH 25 32 ATOM 31 C LIG 1 7.545 -0.071 1.496 0.00 0.00 +0.243 C ATOM 32 N LIG 1 6.404 -0.131 0.728 0.00 0.00 -0.282 N ATOM 33 H LIG 1 6.441 0.206 -0.223 0.00 0.00 +0.155 HD ATOM 34 O LIG 1 7.646 -0.427 2.667 0.00 0.00 -0.270 OA BRANCH 31 36 ATOM 35 C LIG 1 9.889 0.615 1.480 0.00 0.00 +0.017 C ATOM 36 C LIG 1 8.748 0.496 0.778 0.00 0.00 +0.004 C ATOM 37 C LIG 1 8.676 0.904 -0.662 0.00 0.00 +0.048 C ENDBRANCH 31 36 ENDBRANCH 25 32 ENDBRANCH 1 27 BRANCH 9 38 ATOM 38 C LIG 1 -2.907 1.969 -1.253 0.00 0.00 +0.231 C ATOM 39 O LIG 1 -4.020 1.965 -1.772 0.00 0.00 -0.274 OA ATOM 40 N LIG 1 -2.363 3.165 -0.860 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -2.842 3.987 -1.206 0.00 0.00 +0.145 HD ATOM 42 H LIG 1 -1.359 3.250 -0.746 0.00 0.00 +0.145 HD ENDBRANCH 9 38 TORSDOF 7