REMARK Name = BDB046532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.316 -1.473 0.213 0.00 0.00 -0.265 N ATOM 2 C LIG 1 1.411 -1.651 -1.198 0.00 0.00 +0.078 A ATOM 3 C LIG 1 0.301 -1.345 -2.001 0.00 0.00 +0.143 A ATOM 4 C LIG 1 0.323 -1.561 -3.381 0.00 0.00 +0.047 A ATOM 5 C LIG 1 1.470 -2.060 -3.990 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.587 -2.353 -3.214 0.00 0.00 +0.002 A ATOM 7 O LIG 1 -0.884 -0.879 -1.499 0.00 0.00 -0.478 OA ATOM 8 C LIG 1 -0.714 -0.165 -0.282 0.00 0.00 +0.262 C ATOM 9 C LIG 1 2.556 -2.156 -1.828 0.00 0.00 +0.027 A ATOM 10 C LIG 1 0.191 -0.847 0.755 0.00 0.00 +0.261 C ATOM 11 O LIG 1 -0.008 -0.757 1.967 0.00 0.00 -0.271 OA ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 2.313 -2.004 1.139 0.00 0.00 +0.114 C BRANCH 12 13 ATOM 13 C LIG 1 3.216 -0.923 1.750 0.00 0.00 +0.019 C BRANCH 13 14 ATOM 14 C LIG 1 4.118 -0.228 0.725 0.00 0.00 +0.003 C BRANCH 14 15 ATOM 15 C LIG 1 5.021 0.814 1.401 0.00 0.00 +0.021 C BRANCH 15 17 ATOM 16 C LIG 1 6.920 0.666 -0.297 0.00 0.00 +0.026 C ATOM 17 C LIG 1 5.960 1.605 0.452 0.00 0.00 +0.052 C ATOM 18 C LIG 1 5.158 2.429 -0.569 0.00 0.00 +0.026 C BRANCH 17 19 ATOM 19 C LIG 1 6.768 2.539 1.277 0.00 0.00 +0.069 C ATOM 20 N LIG 1 7.401 3.268 1.921 0.00 0.00 -0.196 NA ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 8 21 ATOM 21 C LIG 1 -2.103 0.105 0.302 0.00 0.00 +0.095 C BRANCH 21 22 ATOM 22 C LIG 1 -2.972 0.920 -0.654 0.00 0.00 +0.233 C BRANCH 22 23 ATOM 23 O LIG 1 -4.245 1.193 -0.068 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 -5.266 0.296 -0.241 0.00 0.00 +0.124 A ATOM 25 C LIG 1 -6.507 0.685 0.300 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -7.615 -0.172 0.183 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -7.494 -1.397 -0.469 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.268 -1.780 -1.002 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.157 -0.939 -0.887 0.00 0.00 +0.046 A BRANCH 25 30 ATOM 30 C LIG 1 -6.656 2.002 1.029 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -6.048 1.995 2.409 0.00 0.00 +0.309 C ATOM 32 O LIG 1 -5.825 1.037 3.132 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 -5.804 3.245 2.863 0.00 0.00 -0.480 OA ATOM 34 H LIG 1 -5.422 3.089 3.752 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 13