REMARK Name = BDB000077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.790 -0.499 -0.706 0.00 0.00 +0.149 A ATOM 2 N LIG 1 -1.019 0.032 0.333 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.265 -0.301 0.032 0.00 0.00 +0.077 A ATOM 4 C LIG 1 1.624 -0.141 0.581 0.00 0.00 +0.161 C ATOM 5 N LIG 1 2.402 -0.822 -0.493 0.00 0.00 -0.248 N ATOM 6 C LIG 1 1.576 -1.382 -1.510 0.00 0.00 +0.272 C ATOM 7 O LIG 1 1.884 -2.121 -2.431 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.238 -0.988 -1.138 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.024 -1.111 -1.607 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.785 -0.934 -0.489 0.00 0.00 +0.104 A ATOM 11 C LIG 1 4.543 -0.821 -1.806 0.00 0.00 +0.273 A ATOM 12 O LIG 1 3.997 -0.380 -2.815 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 5.904 -1.144 -1.759 0.00 0.00 -0.315 N ATOM 14 C LIG 1 6.668 -1.102 -2.995 0.00 0.00 +0.152 C ATOM 15 C LIG 1 6.578 -1.312 -0.562 0.00 0.00 +0.108 A ATOM 16 C LIG 1 5.934 -1.247 0.609 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 6.775 -1.425 2.100 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 4.505 -1.067 0.641 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 2.033 1.307 0.784 0.00 0.00 -0.021 A ATOM 20 C LIG 1 2.322 1.778 2.076 0.00 0.00 +0.007 A ATOM 21 C LIG 1 2.692 3.109 2.282 0.00 0.00 +0.020 A ATOM 22 C LIG 1 2.778 3.982 1.200 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 3.232 5.620 1.458 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 2.499 3.534 -0.088 0.00 0.00 +0.020 A ATOM 25 C LIG 1 2.128 2.204 -0.296 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 -5.907 -0.152 -1.204 0.00 0.00 +0.321 A ATOM 27 N LIG 1 -5.481 -1.136 -0.398 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 -4.142 -1.243 -0.257 0.00 0.00 +0.231 A ATOM 29 C LIG 1 -3.232 -0.387 -0.849 0.00 0.00 +0.097 A ATOM 30 C LIG 1 -3.794 0.563 -1.675 0.00 0.00 +0.133 A ATOM 31 N LIG 1 -5.122 0.717 -1.852 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 -8.056 -0.972 -0.802 0.00 0.00 +0.280 C ATOM 33 O LIG 1 -7.258 0.041 -1.397 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 -3.642 -2.234 0.571 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 -4.617 -3.199 0.953 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 -1.426 0.845 1.474 0.00 0.00 +0.083 C ATOM 37 C LIG 1 -2.415 0.160 2.415 0.00 0.00 +0.030 C ATOM 38 C LIG 1 -1.903 2.236 1.060 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6