REMARK Name = BDB012768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.343 -0.455 0.213 0.00 0.00 +0.040 A ATOM 2 N LIG 1 0.667 -0.175 -0.941 0.00 0.00 -0.281 N ATOM 3 H LIG 1 1.040 -0.115 -1.883 0.00 0.00 +0.189 HD ATOM 4 N LIG 1 -0.645 0.042 -0.766 0.00 0.00 -0.169 NA ATOM 5 C LIG 1 -0.843 -0.098 0.559 0.00 0.00 +0.147 A ATOM 6 C LIG 1 0.390 -0.408 1.204 0.00 0.00 +0.057 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.139 0.070 1.257 0.00 0.00 +0.267 C ATOM 8 N LIG 1 -3.304 0.258 0.524 0.00 0.00 -0.294 N ATOM 9 C LIG 1 -4.559 0.554 1.196 0.00 0.00 +0.130 C ATOM 10 C LIG 1 -5.518 0.966 0.073 0.00 0.00 +0.092 C ATOM 11 C LIG 1 -4.983 0.187 -1.126 0.00 0.00 +0.043 C ATOM 12 C LIG 1 -3.474 0.231 -0.919 0.00 0.00 +0.110 C ATOM 13 O LIG 1 -2.183 0.042 2.490 0.00 0.00 -0.268 OA BRANCH 10 14 ATOM 14 N LIG 1 -6.910 0.674 0.350 0.00 0.00 -0.311 N ATOM 15 H LIG 1 -7.269 -0.242 0.126 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -7.631 1.461 1.218 0.00 0.00 +0.216 C ATOM 17 O LIG 1 -7.199 2.492 1.717 0.00 0.00 -0.276 OA BRANCH 16 18 ATOM 18 C LIG 1 -9.003 0.996 1.565 0.00 0.00 +0.075 C ATOM 19 C LIG 1 -9.845 0.139 0.649 0.00 0.00 +0.013 C ATOM 20 C LIG 1 -9.286 -0.447 1.914 0.00 0.00 +0.013 C ENDBRANCH 16 18 ENDBRANCH 10 14 ENDBRANCH 5 7 BRANCH 1 22 ATOM 21 C LIG 1 3.168 -1.956 -0.577 0.00 0.00 +0.014 C ATOM 22 C LIG 1 2.818 -0.730 0.268 0.00 0.00 +0.034 C BRANCH 22 23 ATOM 23 C LIG 1 3.615 0.535 -0.119 0.00 0.00 +0.010 C BRANCH 23 24 ATOM 24 C LIG 1 5.134 0.409 0.058 0.00 0.00 +0.005 C BRANCH 24 25 ATOM 25 C LIG 1 5.859 0.074 -1.250 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 7.343 -0.085 -1.035 0.00 0.00 -0.047 A ATOM 27 C LIG 1 7.882 -1.335 -0.704 0.00 0.00 +0.003 A ATOM 28 C LIG 1 9.254 -1.480 -0.488 0.00 0.00 +0.000 A ATOM 29 C LIG 1 10.098 -0.376 -0.598 0.00 0.00 +0.000 A ATOM 30 C LIG 1 9.571 0.873 -0.920 0.00 0.00 +0.000 A ATOM 31 C LIG 1 8.200 1.020 -1.136 0.00 0.00 +0.003 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8