REMARK Name = BDB010941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.516 -0.733 -1.203 0.00 0.00 +0.251 C ATOM 2 N LIG 1 -0.675 -0.782 -0.503 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -0.639 -1.114 0.456 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.651 -0.342 -2.358 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 10 ATOM 5 C LIG 1 4.168 -1.544 -0.536 0.00 0.00 -0.032 A ATOM 6 C LIG 1 4.113 -2.035 0.775 0.00 0.00 +0.020 A ATOM 7 C LIG 1 2.894 -2.105 1.468 0.00 0.00 +0.091 A ATOM 8 C LIG 1 1.725 -1.682 0.831 0.00 0.00 +0.147 A ATOM 9 F LIG 1 0.570 -1.756 1.511 0.00 0.00 -0.204 F ATOM 10 C LIG 1 1.742 -1.196 -0.478 0.00 0.00 +0.073 A ATOM 11 C LIG 1 2.973 -1.136 -1.153 0.00 0.00 +0.020 A BRANCH 7 12 ATOM 12 C LIG 1 2.813 -2.620 2.874 0.00 0.00 +0.420 C ATOM 13 F LIG 1 2.002 -3.707 2.990 0.00 0.00 -0.166 F ATOM 14 F LIG 1 2.337 -1.692 3.748 0.00 0.00 -0.166 F ATOM 15 F LIG 1 4.021 -3.008 3.373 0.00 0.00 -0.166 F ENDBRANCH 7 12 BRANCH 5 16 ATOM 16 C LIG 1 5.486 -1.452 -1.283 0.00 0.00 +0.119 C BRANCH 16 20 ATOM 17 C LIG 1 5.845 3.467 -2.084 0.00 0.00 +0.009 C ATOM 18 C LIG 1 6.412 2.248 -1.359 0.00 0.00 +0.000 C ATOM 19 C LIG 1 5.616 0.978 -1.697 0.00 0.00 +0.088 C ATOM 20 N LIG 1 6.237 -0.210 -1.109 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 6.864 -0.015 0.196 0.00 0.00 +0.085 C ATOM 22 C LIG 1 6.306 1.183 0.959 0.00 0.00 +0.016 C ATOM 23 C LIG 1 6.443 2.481 0.161 0.00 0.00 +0.006 C ENDBRANCH 16 20 ENDBRANCH 5 16 ENDBRANCH 1 10 BRANCH 2 24 ATOM 24 C LIG 1 -1.960 -0.415 -0.958 0.00 0.00 +0.034 A ATOM 25 C LIG 1 -3.019 -0.538 -0.046 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -4.358 -0.203 -0.363 0.00 0.00 -0.032 A ATOM 27 C LIG 1 -4.578 0.270 -1.670 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -3.538 0.395 -2.593 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -2.234 0.054 -2.238 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 -5.521 -0.348 0.746 0.00 0.00 +0.056 C ATOM 31 C LIG 1 -7.026 -0.352 0.315 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -7.038 -1.893 0.403 0.00 0.00 -0.012 C ATOM 33 C LIG 1 -6.899 -2.657 -0.904 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -5.775 -1.805 1.284 0.00 0.00 +0.022 C BRANCH 30 35 ATOM 35 C LIG 1 -5.248 0.690 1.914 0.00 0.00 +0.144 A ATOM 36 N LIG 1 -5.269 2.056 1.835 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.544 2.872 0.686 0.00 0.00 +0.151 C ATOM 38 C LIG 1 -4.947 2.509 3.078 0.00 0.00 +0.224 A ATOM 39 N LIG 1 -4.736 1.489 3.876 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 -4.917 0.342 3.141 0.00 0.00 -0.134 NA ENDBRANCH 30 35 ENDBRANCH 26 30 ENDBRANCH 2 24 TORSDOF 7