REMARK Name = BDB036728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.335 -0.996 2.448 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -0.007 -0.817 2.093 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.880 -0.303 1.040 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -2.231 -0.606 1.605 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.201 -1.212 2.988 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -2.785 -0.278 4.052 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -2.851 -2.597 3.019 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -3.420 -0.261 1.004 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -3.296 0.270 -0.257 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -2.565 -0.140 -0.816 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -4.513 -0.397 1.544 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -0.733 -1.309 3.132 0.00 0.00 +0.066 A ATOM 13 N LIG 1 0.136 -1.757 4.056 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -0.031 -2.181 4.964 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 1.412 -1.586 3.650 0.00 0.00 -0.158 NA ENDROOT BRANCH 9 16 ATOM 16 C LIG 1 -4.486 0.662 -1.008 0.00 0.00 +0.088 C ATOM 17 C LIG 1 -5.304 -0.567 -1.494 0.00 0.00 +0.106 C ATOM 18 N LIG 1 -6.030 -0.348 -2.763 0.00 0.00 -0.304 NA ATOM 19 C LIG 1 -7.122 -1.309 -2.902 0.00 0.00 +0.104 C ATOM 20 C LIG 1 -6.511 1.029 -2.863 0.00 0.00 +0.084 C ATOM 21 C LIG 1 -5.325 1.993 -2.986 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -4.095 1.553 -2.187 0.00 0.00 +0.025 C ENDBRANCH 9 16 BRANCH 1 24 ATOM 23 C LIG 1 3.733 -0.721 2.036 0.00 0.00 +0.249 C ATOM 24 N LIG 1 2.408 -0.631 1.661 0.00 0.00 -0.265 N ATOM 25 H LIG 1 2.182 -0.200 0.780 0.00 0.00 +0.157 HD ATOM 26 O LIG 1 4.196 -1.056 3.118 0.00 0.00 -0.270 OA BRANCH 23 30 ATOM 27 C LIG 1 6.539 0.508 -0.986 0.00 0.00 +0.034 A ATOM 28 C LIG 1 6.717 0.871 0.351 0.00 0.00 +0.024 A ATOM 29 C LIG 1 5.801 0.460 1.328 0.00 0.00 +0.015 A ATOM 30 C LIG 1 4.689 -0.306 0.973 0.00 0.00 +0.037 A ATOM 31 C LIG 1 4.510 -0.689 -0.361 0.00 0.00 +0.015 A ATOM 32 C LIG 1 5.432 -0.281 -1.331 0.00 0.00 +0.024 A BRANCH 27 34 ATOM 33 C LIG 1 8.543 1.669 -1.931 0.00 0.00 +0.241 C ATOM 34 N LIG 1 7.418 0.874 -2.028 0.00 0.00 -0.282 N ATOM 35 H LIG 1 7.186 0.513 -2.942 0.00 0.00 +0.155 HD ATOM 36 O LIG 1 8.975 2.223 -0.929 0.00 0.00 -0.271 OA BRANCH 33 38 ATOM 37 C LIG 1 10.332 2.570 -3.361 0.00 0.00 +0.013 C ATOM 38 C LIG 1 9.232 1.815 -3.247 0.00 0.00 +0.060 C ENDBRANCH 33 38 ENDBRANCH 27 34 ENDBRANCH 23 30 ENDBRANCH 1 24 TORSDOF 5