REMARK Name = BDB006699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.945 1.489 -0.410 0.00 0.00 -0.253 N ATOM 2 C LIG 1 0.768 0.843 -0.297 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.099 -0.020 0.604 0.00 0.00 +0.270 C ATOM 4 N LIG 1 -1.158 -0.287 -0.020 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -1.278 0.441 -1.335 0.00 0.00 +0.146 C ATOM 6 O LIG 1 0.558 -0.422 1.658 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.024 1.131 -1.398 0.00 0.00 +0.030 A ATOM 8 C LIG 1 0.815 1.990 -2.167 0.00 0.00 +0.066 A ATOM 9 C LIG 1 0.503 2.631 -3.466 0.00 0.00 +0.068 C ATOM 10 N LIG 1 1.990 2.227 -1.551 0.00 0.00 -0.175 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.153 -1.146 0.454 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -3.277 -1.412 -0.247 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.242 -2.269 0.273 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -4.131 -2.901 1.496 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -5.192 -3.649 1.703 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.023 -3.513 0.616 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -2.961 -2.651 2.277 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -2.750 -3.284 3.629 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.455 -2.684 -0.236 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -6.009 -2.247 -1.536 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -2.031 -1.809 1.762 0.00 0.00 +0.032 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 -2.332 1.530 -1.384 0.00 0.00 -0.022 A ATOM 23 C LIG 1 -3.008 1.776 -2.594 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -3.986 2.771 -2.677 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -4.298 3.533 -1.554 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -5.502 4.756 -1.659 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -3.639 3.310 -0.349 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -2.661 2.315 -0.263 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 32 ATOM 29 C LIG 1 6.133 0.220 0.727 0.00 0.00 +0.403 C ATOM 30 N LIG 1 4.892 0.780 0.828 0.00 0.00 -0.263 N ATOM 31 C LIG 1 4.381 1.921 0.083 0.00 0.00 +0.139 C ATOM 32 C LIG 1 2.995 1.511 0.615 0.00 0.00 +0.143 C ATOM 33 C LIG 1 3.597 0.123 0.899 0.00 0.00 +0.139 C ATOM 34 O LIG 1 7.112 0.801 0.276 0.00 0.00 -0.226 OA BRANCH 29 35 ATOM 35 O LIG 1 6.137 -1.056 1.197 0.00 0.00 -0.451 OA BRANCH 35 37 ATOM 36 C LIG 1 8.206 -1.434 2.397 0.00 0.00 +0.048 C ATOM 37 C LIG 1 7.398 -1.737 1.149 0.00 0.00 +0.230 C ENDBRANCH 35 37 ENDBRANCH 29 35 ENDBRANCH 1 32 TORSDOF 5