REMARK Name = BDB004882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.456 -0.524 0.350 0.00 0.00 -0.253 NA ATOM 2 C LIG 1 1.194 -0.751 0.447 0.00 0.00 +0.039 C ATOM 3 C LIG 1 0.332 0.437 0.859 0.00 0.00 +0.060 C ATOM 4 C LIG 1 -1.032 0.405 0.164 0.00 0.00 +0.016 C ATOM 5 C LIG 1 -1.743 -0.916 0.488 0.00 0.00 +0.032 C ATOM 6 C LIG 1 -0.848 -2.106 0.300 0.00 0.00 -0.025 C ATOM 7 C LIG 1 0.489 -2.051 0.247 0.00 0.00 +0.019 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 3.365 -1.606 -0.001 0.00 0.00 +0.263 C BRANCH 8 13 ATOM 9 C LIG 1 7.572 -0.510 0.252 0.00 0.00 +0.123 A ATOM 10 C LIG 1 7.194 -1.834 -0.025 0.00 0.00 -0.008 A ATOM 11 C LIG 1 8.231 -2.901 -0.244 0.00 0.00 +0.047 C ATOM 12 C LIG 1 5.830 -2.163 -0.101 0.00 0.00 +0.015 A ATOM 13 C LIG 1 4.830 -1.196 0.095 0.00 0.00 +0.003 A ATOM 14 C LIG 1 5.228 0.118 0.368 0.00 0.00 +0.011 A ATOM 15 C LIG 1 6.584 0.458 0.447 0.00 0.00 +0.046 A BRANCH 9 17 ATOM 16 C LIG 1 9.341 1.053 0.590 0.00 0.00 +0.277 C ATOM 17 O LIG 1 8.921 -0.276 0.308 0.00 0.00 -0.495 OA ENDBRANCH 9 17 ENDBRANCH 8 13 BRANCH 8 18 ATOM 18 O LIG 1 3.161 -2.104 -1.315 0.00 0.00 -0.367 OA ATOM 19 H LIG 1 3.342 -1.335 -1.882 0.00 0.00 +0.212 HD ENDBRANCH 8 18 ENDBRANCH 1 8 BRANCH 4 20 ATOM 20 C LIG 1 -1.855 1.640 0.569 0.00 0.00 +0.107 C BRANCH 20 21 ATOM 21 N LIG 1 -3.018 1.844 -0.295 0.00 0.00 -0.328 N ATOM 22 H LIG 1 -2.846 1.565 -1.256 0.00 0.00 +0.147 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.269 1.371 0.137 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -5.414 1.601 -0.657 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -6.633 1.086 -0.174 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -7.786 1.288 -0.963 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -7.726 1.992 -2.182 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -6.527 2.512 -2.638 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -6.676 0.430 1.007 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -5.537 0.302 1.696 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -5.380 2.319 -1.880 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -4.339 0.740 1.318 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -9.143 0.785 -0.579 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -10.128 0.992 -1.280 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -9.273 0.080 0.581 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -10.189 -0.235 0.863 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -8.475 -0.067 1.192 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 8