REMARK Name = BDB040349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.551 -0.489 -1.011 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -0.357 -0.897 -0.389 0.00 0.00 +0.048 A ATOM 3 C LIG 1 0.698 -0.013 -0.201 0.00 0.00 +0.130 A ATOM 4 N LIG 1 0.618 1.274 -0.599 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 -0.517 1.712 -1.171 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -1.599 0.861 -1.390 0.00 0.00 +0.048 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.900 -0.409 0.415 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.210 -1.646 0.961 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.545 -2.660 1.069 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.589 -1.547 1.459 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.354 -2.513 2.084 0.00 0.00 +0.013 A ATOM 12 C LIG 1 5.649 -2.161 2.465 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.141 -0.865 2.218 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.350 0.110 1.580 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.061 -0.262 1.205 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.998 0.537 0.519 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.862 1.502 1.321 0.00 0.00 +0.418 C ATOM 18 F LIG 1 5.145 2.444 1.993 0.00 0.00 -0.166 F ATOM 19 F LIG 1 5.788 1.844 0.006 0.00 0.00 -0.166 F ATOM 20 F LIG 1 7.160 1.684 1.687 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 -2.789 -1.523 -1.234 0.00 0.00 +0.049 C ATOM 22 C LIG 1 -2.402 -2.893 -1.881 0.00 0.00 +0.174 C ATOM 23 O LIG 1 -2.861 -2.446 -3.179 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 -3.607 -1.369 -2.555 0.00 0.00 +0.174 C BRANCH 21 25 ATOM 25 C LIG 1 -3.597 -1.556 0.075 0.00 0.00 +0.092 C BRANCH 25 28 ATOM 26 C LIG 1 -3.533 -4.274 1.603 0.00 0.00 +0.151 C ATOM 27 N LIG 1 -4.630 -3.753 0.832 0.00 0.00 -0.320 N ATOM 28 C LIG 1 -4.690 -2.563 0.152 0.00 0.00 +0.134 A ATOM 29 N LIG 1 -5.885 -2.456 -0.393 0.00 0.00 -0.135 NA ATOM 30 N LIG 1 -6.600 -3.590 -0.092 0.00 0.00 -0.138 NA ATOM 31 C LIG 1 -5.833 -4.360 0.642 0.00 0.00 +0.224 A ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 BRANCH 5 32 ATOM 32 N LIG 1 -0.624 3.040 -1.609 0.00 0.00 -0.326 N ATOM 33 H LIG 1 -1.494 3.451 -1.280 0.00 0.00 +0.148 HD BRANCH 32 34 ATOM 34 C LIG 1 0.528 3.916 -1.327 0.00 0.00 +0.079 C ATOM 35 C LIG 1 0.359 5.232 -2.117 0.00 0.00 +0.049 C ATOM 36 C LIG 1 -0.224 6.173 -1.108 0.00 0.00 -0.029 C ATOM 37 C LIG 1 -0.113 5.694 0.135 0.00 0.00 -0.029 C ATOM 38 C LIG 1 0.559 4.355 0.154 0.00 0.00 +0.049 C ENDBRANCH 32 34 ENDBRANCH 5 32 TORSDOF 7