REMARK Name = BDB029619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.005 1.786 -0.111 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 -0.515 0.795 0.844 0.00 0.00 +0.089 C ATOM 3 C LIG 1 -1.771 0.109 0.277 0.00 0.00 +0.051 C ATOM 4 C LIG 1 -2.773 1.099 -0.272 0.00 0.00 -0.040 C ATOM 5 C LIG 1 -2.385 2.362 -0.532 0.00 0.00 -0.007 C ATOM 6 C LIG 1 -0.983 2.859 -0.312 0.00 0.00 +0.112 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.155 0.640 -0.514 0.00 0.00 -0.004 A ATOM 8 C LIG 1 -4.430 -0.632 -1.017 0.00 0.00 +0.119 A ATOM 9 N LIG 1 -5.672 -1.129 -1.245 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -6.720 -0.319 -0.957 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -6.554 0.966 -0.449 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -5.262 1.442 -0.223 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 -8.119 -0.816 -1.200 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -8.383 -2.105 -1.607 0.00 0.00 -0.313 N ATOM 15 H LIG 1 -9.372 -2.291 -1.712 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -7.463 -3.203 -1.777 0.00 0.00 +0.128 C ATOM 17 O LIG 1 -9.075 -0.056 -1.028 0.00 0.00 -0.269 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 1.285 2.360 0.327 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 6.434 -1.604 0.794 0.00 0.00 +0.019 A ATOM 20 C LIG 1 6.139 -1.054 2.158 0.00 0.00 +0.252 A ATOM 21 O LIG 1 6.813 -1.354 3.139 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 5.077 -0.194 2.270 0.00 0.00 -0.321 N ATOM 23 H LIG 1 4.897 0.167 3.196 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 4.272 0.172 1.186 0.00 0.00 +0.068 A ATOM 25 C LIG 1 4.534 -0.347 -0.081 0.00 0.00 +0.088 A ATOM 26 N LIG 1 3.810 -0.047 -1.179 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 2.777 0.810 -0.997 0.00 0.00 +0.116 A ATOM 28 C LIG 1 2.435 1.389 0.227 0.00 0.00 -0.013 A ATOM 29 C LIG 1 3.209 1.053 1.344 0.00 0.00 +0.034 A ATOM 30 C LIG 1 5.654 -1.266 -0.249 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 8.931 -1.829 0.638 0.00 0.00 +0.009 C ATOM 32 C LIG 1 7.593 -2.555 0.670 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5