REMARK Name = BDB052519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.690 -0.087 1.394 0.00 0.00 -0.283 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.625 0.410 0.944 0.00 0.00 +0.181 C BRANCH 2 5 ATOM 3 N LIG 1 2.617 -0.938 1.343 0.00 0.00 -0.284 N ATOM 4 H LIG 1 2.307 -1.376 0.482 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 1.748 -0.015 1.904 0.00 0.00 +0.231 C ATOM 6 O LIG 1 1.835 0.473 3.030 0.00 0.00 -0.274 OA BRANCH 3 9 ATOM 7 C LIG 1 5.472 -1.681 3.654 0.00 0.00 +0.122 A ATOM 8 C LIG 1 4.314 -1.082 3.147 0.00 0.00 +0.069 A ATOM 9 C LIG 1 3.783 -1.487 1.918 0.00 0.00 +0.037 A ATOM 10 C LIG 1 4.437 -2.490 1.191 0.00 0.00 +0.023 A ATOM 11 C LIG 1 5.597 -3.085 1.687 0.00 0.00 +0.005 A ATOM 12 C LIG 1 6.111 -2.679 2.916 0.00 0.00 +0.046 A BRANCH 7 14 ATOM 13 C LIG 1 5.385 -0.476 5.700 0.00 0.00 +0.277 C ATOM 14 O LIG 1 6.078 -1.378 4.844 0.00 0.00 -0.495 OA ENDBRANCH 7 14 ENDBRANCH 3 9 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 C LIG 1 -1.012 -1.430 0.890 0.00 0.00 +0.159 C BRANCH 15 16 ATOM 16 C LIG 1 -0.193 -2.510 1.507 0.00 0.00 +0.119 A ATOM 17 O LIG 1 0.482 -3.332 0.649 0.00 0.00 -0.467 OA ATOM 18 C LIG 1 1.134 -4.248 1.412 0.00 0.00 +0.195 A ATOM 19 C LIG 1 0.906 -4.015 2.748 0.00 0.00 +0.041 A ATOM 20 C LIG 1 0.045 -2.894 2.811 0.00 0.00 +0.046 A ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 1 21 ATOM 21 C LIG 1 -1.770 0.879 1.133 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 C LIG 1 -2.106 1.145 -0.323 0.00 0.00 -0.033 A ATOM 23 C LIG 1 -1.434 2.141 -1.047 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -1.739 2.375 -2.390 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -2.744 1.639 -3.011 0.00 0.00 +0.122 A ATOM 26 C LIG 1 -3.399 0.625 -2.318 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -3.094 0.390 -0.976 0.00 0.00 +0.008 A BRANCH 25 28 ATOM 28 O LIG 1 -2.997 1.820 -4.339 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 -4.011 2.806 -4.674 0.00 0.00 +0.200 C ATOM 30 C LIG 1 -3.603 4.229 -4.278 0.00 0.00 +0.067 C ATOM 31 C LIG 1 -5.397 2.437 -4.136 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 -4.098 2.768 -6.214 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -4.824 3.486 -6.888 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.277 1.845 -6.778 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -2.774 1.384 -6.070 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12