REMARK Name = BDB011267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.036 0.797 0.665 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.122 -0.269 0.679 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.128 0.277 0.677 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.541 -0.190 0.714 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.236 1.130 0.758 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.343 2.226 0.794 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.568 3.410 0.974 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.033 1.639 0.717 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.314 1.989 0.704 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.617 1.273 0.787 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.264 2.419 0.016 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.631 3.062 -0.819 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.630 2.618 0.248 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.292 3.723 -0.427 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.401 1.699 0.938 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.852 0.609 1.484 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.812 -0.550 2.320 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.428 0.404 1.417 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.971 -1.012 -0.487 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.575 -2.268 -0.299 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.996 -3.027 -1.394 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.822 -2.537 -2.687 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.339 -3.476 -4.032 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.235 -1.292 -2.894 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.814 -0.532 -1.801 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 6.189 0.406 0.731 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.583 0.146 -0.437 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.241 0.287 -0.448 0.00 0.00 +0.230 A ATOM 29 C LIG 1 3.491 0.653 0.659 0.00 0.00 +0.078 A ATOM 30 C LIG 1 4.235 0.900 1.795 0.00 0.00 +0.131 A ATOM 31 N LIG 1 5.576 0.777 1.862 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 8.187 -0.038 -0.395 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.558 0.283 0.837 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.559 0.039 -1.625 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.408 -0.223 -2.736 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.489 -1.685 0.769 0.00 0.00 +0.081 C ATOM 37 C LIG 1 0.794 -2.412 1.921 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.318 -2.428 -0.554 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6