REMARK Name = BDB033834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.652 -0.202 -0.868 0.00 0.00 -0.299 NA ATOM 2 C LIG 1 2.738 0.597 -0.051 0.00 0.00 +0.091 C ATOM 3 C LIG 1 1.390 0.353 -0.748 0.00 0.00 -0.013 C ATOM 4 C LIG 1 0.858 -1.074 -0.421 0.00 0.00 +0.027 C ATOM 5 C LIG 1 -0.668 -1.093 -0.360 0.00 0.00 +0.107 C ATOM 6 N LIG 1 -1.115 -0.236 0.749 0.00 0.00 -0.315 N ATOM 7 C LIG 1 -0.430 1.064 0.881 0.00 0.00 +0.107 C ATOM 8 C LIG 1 0.343 1.425 -0.387 0.00 0.00 +0.027 C ATOM 9 C LIG 1 1.804 0.456 -2.227 0.00 0.00 +0.023 C ATOM 10 C LIG 1 3.280 0.054 -2.264 0.00 0.00 +0.085 C ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.521 -0.120 0.840 0.00 0.00 +0.133 A ATOM 12 C LIG 1 -3.130 0.088 2.090 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -4.516 0.246 2.063 0.00 0.00 +0.095 A ATOM 14 C LIG 1 -5.127 0.461 3.290 0.00 0.00 +0.139 A ATOM 15 N LIG 1 -4.506 0.517 4.498 0.00 0.00 -0.261 NA ATOM 16 C LIG 1 -3.174 0.336 4.489 0.00 0.00 +0.111 A ATOM 17 N LIG 1 -5.237 0.195 0.934 0.00 0.00 -0.226 NA ATOM 18 C LIG 1 -4.572 -0.037 -0.208 0.00 0.00 +0.162 A ATOM 19 C LIG 1 -2.452 0.120 3.332 0.00 0.00 +0.033 A ATOM 20 N LIG 1 -3.241 -0.197 -0.294 0.00 0.00 -0.212 NA BRANCH 18 21 ATOM 21 C LIG 1 -5.352 -0.111 -1.457 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -6.747 0.047 -1.463 0.00 0.00 +0.031 A ATOM 23 C LIG 1 -7.437 -0.030 -2.663 0.00 0.00 +0.111 A ATOM 24 N LIG 1 -6.848 -0.252 -3.854 0.00 0.00 -0.263 NA ATOM 25 C LIG 1 -5.509 -0.404 -3.844 0.00 0.00 +0.111 A ATOM 26 C LIG 1 -4.735 -0.343 -2.696 0.00 0.00 +0.031 A ENDBRANCH 18 21 ENDBRANCH 6 11 BRANCH 1 27 ATOM 27 C LIG 1 5.079 0.038 -0.616 0.00 0.00 +0.118 C BRANCH 27 29 ATOM 28 C LIG 1 5.186 -1.697 1.271 0.00 0.00 +0.042 C ATOM 29 C LIG 1 5.599 -0.296 0.817 0.00 0.00 +0.073 C ATOM 30 C LIG 1 7.128 -0.178 0.842 0.00 0.00 +0.042 C BRANCH 29 31 ATOM 31 O LIG 1 5.095 0.647 1.774 0.00 0.00 -0.388 OA ATOM 32 H LIG 1 5.333 1.536 1.465 0.00 0.00 +0.210 HD ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 5