REMARK Name = BDB034152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.051 -1.888 -1.381 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.387 -0.471 -1.617 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.887 -0.182 -1.372 0.00 0.00 +0.120 C ATOM 4 N LIG 1 2.271 -0.577 -0.002 0.00 0.00 -0.327 N ATOM 5 C LIG 1 1.933 -1.992 0.289 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.438 -2.267 -0.008 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.544 -0.199 0.466 0.00 0.00 +0.032 A ATOM 8 C LIG 1 4.578 0.230 -0.388 0.00 0.00 +0.051 A ATOM 9 C LIG 1 5.806 0.585 0.186 0.00 0.00 +0.068 A ATOM 10 C LIG 1 6.049 0.548 1.551 0.00 0.00 +0.089 A ATOM 11 N LIG 1 7.333 0.946 1.832 0.00 0.00 -0.233 NA ATOM 12 C LIG 1 7.880 1.227 0.668 0.00 0.00 +0.105 A ATOM 13 C LIG 1 9.262 1.703 0.428 0.00 0.00 +0.086 C ATOM 14 C LIG 1 5.026 0.141 2.412 0.00 0.00 +0.032 A ATOM 15 N LIG 1 6.988 1.021 -0.355 0.00 0.00 -0.342 N ATOM 16 H LIG 1 7.171 1.168 -1.336 0.00 0.00 +0.167 HD ATOM 17 C LIG 1 3.789 -0.221 1.854 0.00 0.00 +0.025 A ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -1.324 -2.249 -1.738 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 -6.106 1.204 1.035 0.00 0.00 +0.019 A ATOM 20 C LIG 1 -5.609 1.965 -0.159 0.00 0.00 +0.252 A ATOM 21 O LIG 1 -6.081 3.051 -0.480 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 -4.595 1.394 -0.886 0.00 0.00 -0.321 N ATOM 23 H LIG 1 -4.274 1.921 -1.686 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.015 0.164 -0.556 0.00 0.00 +0.068 A ATOM 25 C LIG 1 -4.466 -0.540 0.557 0.00 0.00 +0.088 A ATOM 26 N LIG 1 -3.966 -1.732 0.944 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 -2.966 -2.235 0.182 0.00 0.00 +0.116 A ATOM 28 C LIG 1 -2.437 -1.608 -0.948 0.00 0.00 -0.013 A ATOM 29 C LIG 1 -2.989 -0.377 -1.321 0.00 0.00 +0.034 A ATOM 30 C LIG 1 -5.543 0.026 1.361 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 -8.571 1.668 1.187 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -7.207 1.833 1.843 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 4