REMARK Name = BDB011381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.839 -1.188 -0.109 0.00 0.00 +0.054 A ATOM 2 N LIG 1 -1.007 -0.280 0.563 0.00 0.00 -0.339 N ATOM 3 C LIG 1 0.277 -0.598 0.218 0.00 0.00 +0.057 A ATOM 4 C LIG 1 1.654 -0.121 0.509 0.00 0.00 +0.159 C ATOM 5 N LIG 1 2.449 -1.164 -0.224 0.00 0.00 -0.251 N ATOM 6 C LIG 1 1.624 -2.086 -0.909 0.00 0.00 +0.254 C ATOM 7 O LIG 1 1.900 -3.051 -1.597 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.276 -1.695 -0.594 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.042 -2.075 -0.827 0.00 0.00 +0.041 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.122 -0.241 -0.789 0.00 0.00 +0.145 A ATOM 11 C LIG 1 -3.263 -1.123 0.003 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -3.823 -1.974 0.881 0.00 0.00 +0.084 A ATOM 13 C LIG 1 -5.292 -2.011 1.092 0.00 0.00 +0.252 A ATOM 14 O LIG 1 -5.755 -2.786 1.923 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -6.040 -1.134 0.314 0.00 0.00 -0.315 N ATOM 16 C LIG 1 -7.488 -1.120 0.452 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -5.454 -0.281 -0.606 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 -4.194 1.406 -2.530 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -3.438 0.558 -1.676 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 3.846 -1.270 -0.161 0.00 0.00 +0.078 A ATOM 21 C LIG 1 4.802 -2.061 -0.879 0.00 0.00 +0.081 A ATOM 22 C LIG 1 4.630 -3.025 -1.995 0.00 0.00 +0.069 C ATOM 23 N LIG 1 6.056 -1.827 -0.458 0.00 0.00 -0.175 NA ATOM 24 N LIG 1 5.920 -0.900 0.493 0.00 0.00 -0.272 N ATOM 25 C LIG 1 7.093 -0.400 1.166 0.00 0.00 +0.172 C ATOM 26 C LIG 1 4.628 -0.535 0.711 0.00 0.00 +0.131 A ENDBRANCH 5 20 BRANCH 4 27 ATOM 27 C LIG 1 1.938 1.282 -0.007 0.00 0.00 -0.021 A ATOM 28 C LIG 1 2.389 2.279 0.877 0.00 0.00 +0.007 A ATOM 29 C LIG 1 2.660 3.572 0.419 0.00 0.00 +0.020 A ATOM 30 C LIG 1 2.484 3.881 -0.928 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 2.813 5.473 -1.488 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 2.042 2.909 -1.821 0.00 0.00 +0.020 A ATOM 33 C LIG 1 1.772 1.617 -1.363 0.00 0.00 +0.007 A ENDBRANCH 4 27 BRANCH 2 34 ATOM 34 C LIG 1 -1.457 0.755 1.498 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -0.702 0.737 2.829 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -1.470 2.148 0.874 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 5