REMARK Name = BDB004203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.183 -2.228 1.428 0.00 0.00 +0.006 C ATOM 2 C LIG 1 -0.261 -2.799 0.070 0.00 0.00 +0.024 C ATOM 3 C LIG 1 -1.661 -2.321 -0.338 0.00 0.00 +0.105 C ATOM 4 N LIG 1 -2.535 -2.178 0.835 0.00 0.00 -0.330 N ATOM 5 C LIG 1 -2.200 -3.033 1.974 0.00 0.00 +0.105 C ATOM 6 C LIG 1 -0.834 -2.616 2.527 0.00 0.00 +0.024 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.820 -1.666 0.700 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -4.548 -1.221 1.814 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -5.839 -0.685 1.700 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -6.459 -0.560 0.452 0.00 0.00 -0.039 A ATOM 11 C LIG 1 -5.741 -0.982 -0.671 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -4.448 -1.514 -0.545 0.00 0.00 +0.023 A BRANCH 10 13 ATOM 13 C LIG 1 -7.858 0.050 0.364 0.00 0.00 +0.063 C ATOM 14 C LIG 1 -7.897 1.573 0.074 0.00 0.00 +0.068 C ATOM 15 C LIG 1 -7.725 1.804 -1.430 0.00 0.00 +0.238 C ATOM 16 O LIG 1 -8.788 1.217 -2.191 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 -9.145 -0.053 -1.828 0.00 0.00 +0.128 A ATOM 18 C LIG 1 -9.979 -0.722 -2.724 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -10.406 -2.014 -2.442 0.00 0.00 +0.120 A ATOM 20 C LIG 1 -10.019 -2.651 -1.268 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -9.195 -1.978 -0.364 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -8.752 -0.670 -0.633 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 -6.994 2.420 0.957 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -5.657 2.689 0.624 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -4.853 3.459 1.467 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.372 3.971 2.654 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -6.694 3.708 3.003 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.499 2.935 2.163 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 -11.212 -2.631 -3.352 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -11.430 -3.518 -3.023 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 31 ATOM 31 C LIG 1 0.372 -0.691 1.389 0.00 0.00 +0.088 C BRANCH 31 42 ATOM 32 N LIG 1 9.017 0.302 -2.110 0.00 0.00 -0.281 N ATOM 33 C LIG 1 8.404 1.306 -2.843 0.00 0.00 +0.248 C ATOM 34 O LIG 1 8.835 1.891 -3.818 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 7.109 1.565 -2.205 0.00 0.00 +0.045 A ATOM 36 C LIG 1 6.148 2.499 -2.531 0.00 0.00 +0.015 A ATOM 37 C LIG 1 4.997 2.542 -1.736 0.00 0.00 +0.027 A ATOM 38 C LIG 1 4.810 1.663 -0.639 0.00 0.00 +0.073 A ATOM 39 N LIG 1 3.621 1.719 0.126 0.00 0.00 -0.318 N ATOM 40 C LIG 1 3.558 0.735 1.240 0.00 0.00 +0.125 C ATOM 41 C LIG 1 2.765 -0.528 0.807 0.00 0.00 +0.110 C ATOM 42 N LIG 1 1.363 -0.259 0.390 0.00 0.00 -0.299 NA ATOM 43 C LIG 1 1.171 1.173 0.056 0.00 0.00 +0.103 C ATOM 44 C LIG 1 4.956 0.398 1.761 0.00 0.00 +0.252 C ATOM 45 O LIG 1 5.807 -0.114 0.734 0.00 0.00 -0.488 OA ATOM 46 C LIG 1 2.377 1.797 -0.685 0.00 0.00 +0.121 C ATOM 47 C LIG 1 5.853 0.757 -0.325 0.00 0.00 +0.147 A ATOM 48 C LIG 1 6.978 0.699 -1.126 0.00 0.00 +0.025 A ATOM 49 C LIG 1 8.170 -0.189 -1.027 0.00 0.00 +0.148 C BRANCH 32 56 ATOM 50 O LIG 1 12.437 -0.616 1.087 0.00 0.00 -0.275 OA ATOM 51 C LIG 1 11.927 -0.492 -0.023 0.00 0.00 +0.219 C ATOM 52 N LIG 1 11.479 -1.588 -0.716 0.00 0.00 -0.255 N ATOM 53 H LIG 1 11.593 -2.474 -0.243 0.00 0.00 +0.158 HD ATOM 54 C LIG 1 10.615 -1.598 -1.786 0.00 0.00 +0.240 C ATOM 55 O LIG 1 10.020 -2.632 -2.085 0.00 0.00 -0.273 OA ATOM 56 C LIG 1 10.328 -0.247 -2.453 0.00 0.00 +0.163 C ATOM 57 C LIG 1 11.464 0.737 -2.152 0.00 0.00 +0.041 C ATOM 58 C LIG 1 11.686 0.858 -0.653 0.00 0.00 +0.098 C ENDBRANCH 32 56 ENDBRANCH 31 42 ENDBRANCH 1 31 TORSDOF 7