REMARK Name = BDB020592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.027 2.002 -0.210 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.228 1.510 0.923 0.00 0.00 -0.016 A ATOM 3 C LIG 1 -0.722 0.244 1.579 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.861 2.232 1.315 0.00 0.00 +0.056 A ATOM 5 N LIG 1 1.125 3.458 0.642 0.00 0.00 -0.317 N ATOM 6 C LIG 1 0.328 3.955 -0.391 0.00 0.00 +0.047 A ATOM 7 C LIG 1 0.828 5.169 -0.811 0.00 0.00 +0.027 A ATOM 8 C LIG 1 1.974 5.439 -0.039 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.138 4.384 0.830 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -0.774 3.173 -0.819 0.00 0.00 +0.039 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 -1.694 0.119 -1.508 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -0.697 -0.041 -1.593 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -2.139 1.215 -0.813 0.00 0.00 +0.245 C ATOM 14 O LIG 1 -3.310 1.549 -0.694 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -2.588 -0.803 -2.170 0.00 0.00 +0.145 C BRANCH 15 22 ATOM 16 C LIG 1 -1.774 -6.156 -0.043 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -2.052 -4.764 -0.519 0.00 0.00 +0.016 A ATOM 18 N LIG 1 -1.286 -4.292 -1.556 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -0.572 -4.881 -1.967 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 -1.405 -3.040 -2.102 0.00 0.00 +0.254 A ATOM 21 O LIG 1 -0.668 -2.673 -3.013 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 -2.459 -2.147 -1.518 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -3.215 -2.623 -0.502 0.00 0.00 -0.039 A ATOM 24 C LIG 1 -4.310 -1.863 0.195 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -2.992 -3.968 0.009 0.00 0.00 +0.024 A ENDBRANCH 15 22 ENDBRANCH 11 15 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 1.805 1.763 2.417 0.00 0.00 +0.163 C ATOM 27 C LIG 1 1.642 2.582 3.697 0.00 0.00 +0.044 C BRANCH 26 28 ATOM 28 O LIG 1 3.174 1.840 1.994 0.00 0.00 -0.366 OA BRANCH 28 29 ATOM 29 C LIG 1 3.712 0.602 1.518 0.00 0.00 +0.198 C BRANCH 29 30 ATOM 30 C LIG 1 3.160 0.191 0.180 0.00 0.00 +0.013 A ATOM 31 C LIG 1 2.558 -1.058 0.015 0.00 0.00 +0.129 A ATOM 32 F LIG 1 2.459 -1.897 1.057 0.00 0.00 -0.205 F ATOM 33 C LIG 1 2.033 -1.452 -1.212 0.00 0.00 +0.039 A ATOM 34 C LIG 1 2.105 -0.590 -2.303 0.00 0.00 +0.003 A ATOM 35 C LIG 1 2.707 0.660 -2.161 0.00 0.00 +0.001 A ATOM 36 C LIG 1 3.240 1.046 -0.928 0.00 0.00 +0.009 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 7