REMARK Name = BDB047538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.294 0.242 -1.209 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.189 0.066 -0.975 0.00 0.00 -0.010 A ATOM 3 C LIG 1 2.114 0.923 -1.582 0.00 0.00 +0.007 A ATOM 4 C LIG 1 3.486 0.739 -1.386 0.00 0.00 +0.010 A ATOM 5 C LIG 1 3.966 -0.312 -0.594 0.00 0.00 +0.004 A ATOM 6 C LIG 1 3.040 -1.165 0.019 0.00 0.00 +0.010 A ATOM 7 C LIG 1 1.667 -0.983 -0.177 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 5.398 -0.467 -0.416 0.00 0.00 +0.112 A ATOM 9 C LIG 1 6.111 -1.639 -0.257 0.00 0.00 +0.130 A ATOM 10 C LIG 1 5.796 -3.078 -0.214 0.00 0.00 +0.088 C ATOM 11 O LIG 1 7.433 -1.306 -0.135 0.00 0.00 -0.440 OA ATOM 12 C LIG 1 7.457 0.059 -0.246 0.00 0.00 +0.228 A ATOM 13 N LIG 1 6.269 0.602 -0.428 0.00 0.00 -0.209 NA BRANCH 12 14 ATOM 14 C LIG 1 8.763 0.708 -0.155 0.00 0.00 +0.037 A ATOM 15 C LIG 1 9.946 -0.025 0.023 0.00 0.00 +0.013 A ATOM 16 C LIG 1 11.182 0.623 0.106 0.00 0.00 +0.001 A ATOM 17 C LIG 1 11.250 2.011 0.012 0.00 0.00 +0.000 A ATOM 18 C LIG 1 10.085 2.754 -0.165 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.850 2.105 -0.247 0.00 0.00 +0.013 A ENDBRANCH 12 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 O LIG 1 -0.973 0.212 0.046 0.00 0.00 -0.487 OA BRANCH 20 25 ATOM 21 C LIG 1 -6.584 0.505 0.577 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -5.112 0.470 0.223 0.00 0.00 -0.040 A ATOM 23 C LIG 1 -4.321 0.348 1.369 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -2.942 0.255 1.281 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -2.338 0.308 0.021 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -3.132 0.454 -1.128 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -5.165 0.310 2.602 0.00 0.00 +0.036 C ATOM 28 C LIG 1 -4.527 0.535 -1.030 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -6.468 0.920 2.067 0.00 0.00 +0.013 C BRANCH 21 30 ATOM 30 C LIG 1 -7.268 -0.864 0.359 0.00 0.00 +0.105 C BRANCH 30 32 ATOM 31 C LIG 1 -9.649 0.093 0.704 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -8.658 -1.025 1.006 0.00 0.00 +0.012 C ENDBRANCH 30 32 BRANCH 30 33 ATOM 33 C LIG 1 -7.378 -1.234 -1.107 0.00 0.00 +0.308 C ATOM 34 O LIG 1 -7.240 -2.356 -1.569 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -7.736 -0.219 -1.915 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -7.813 -0.642 -2.796 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 21 30 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 9