REMARK Name = BDB042674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.206 -0.383 0.462 0.00 0.00 -0.326 N ATOM 2 C LIG 1 1.943 0.036 1.133 0.00 0.00 +0.127 C ATOM 3 C LIG 1 1.089 -1.187 1.579 0.00 0.00 +0.094 C ATOM 4 N LIG 1 0.838 -2.029 0.415 0.00 0.00 -0.292 N ATOM 5 C LIG 1 2.123 -2.638 0.111 0.00 0.00 +0.094 C ATOM 6 C LIG 1 2.598 -3.091 1.499 0.00 0.00 +0.026 C ATOM 7 C LIG 1 -0.101 -1.818 -0.572 0.00 0.00 +0.216 C ATOM 8 O LIG 1 0.032 -2.280 -1.703 0.00 0.00 -0.276 OA ATOM 9 C LIG 1 1.908 -2.124 2.478 0.00 0.00 +0.026 C ATOM 10 C LIG 1 3.074 -1.551 -0.470 0.00 0.00 +0.127 C ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 6.057 2.580 -0.626 0.00 0.00 +0.052 A ATOM 12 C LIG 1 4.814 2.957 -0.125 0.00 0.00 +0.020 A ATOM 13 C LIG 1 3.871 1.981 0.234 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.129 0.607 0.093 0.00 0.00 +0.030 A ATOM 15 C LIG 1 5.402 0.261 -0.397 0.00 0.00 +0.024 A ATOM 16 C LIG 1 6.352 1.226 -0.757 0.00 0.00 +0.020 A BRANCH 11 18 ATOM 17 N LIG 1 7.807 4.378 -1.286 0.00 0.00 -0.191 NA ATOM 18 C LIG 1 7.024 3.573 -0.992 0.00 0.00 +0.099 C ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 7 19 ATOM 19 C LIG 1 -1.313 -1.002 -0.168 0.00 0.00 +0.102 C BRANCH 19 20 ATOM 20 C LIG 1 -2.365 -0.969 -1.278 0.00 0.00 +0.062 C BRANCH 20 21 ATOM 21 C LIG 1 -3.567 -0.151 -0.879 0.00 0.00 +0.022 A ATOM 22 N LIG 1 -3.435 1.220 -0.915 0.00 0.00 -0.326 N ATOM 23 H LIG 1 -2.563 1.640 -1.218 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.432 2.116 -0.590 0.00 0.00 +0.258 A ATOM 25 O LIG 1 -4.254 3.328 -0.634 0.00 0.00 -0.267 OA ATOM 26 C LIG 1 -5.726 1.537 -0.180 0.00 0.00 +0.065 A ATOM 27 C LIG 1 -5.859 0.153 -0.149 0.00 0.00 +0.078 A ATOM 28 N LIG 1 -7.003 -0.474 0.216 0.00 0.00 -0.255 NA ATOM 29 C LIG 1 -8.046 0.319 0.557 0.00 0.00 +0.111 A ATOM 30 C LIG 1 -8.001 1.707 0.552 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -6.814 2.330 0.176 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -4.736 -0.703 -0.518 0.00 0.00 +0.049 A ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 7 19 TORSDOF 5