REMARK Name = BDB022746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.867 0.697 1.080 0.00 0.00 +0.101 A ATOM 2 C LIG 1 2.017 -0.615 0.534 0.00 0.00 +0.080 A ATOM 3 C LIG 1 1.115 -0.649 -0.513 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.530 0.579 -0.567 0.00 0.00 -0.266 N ATOM 5 N LIG 1 1.013 1.435 0.352 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.859 -1.732 0.931 0.00 0.00 +0.248 C ATOM 7 N LIG 1 4.047 -1.372 1.528 0.00 0.00 -0.304 N ATOM 8 H LIG 1 4.389 -0.450 1.291 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 2.551 -2.896 0.701 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 5.109 -2.360 1.667 0.00 0.00 +0.181 C BRANCH 10 11 ATOM 11 C LIG 1 6.042 -2.374 0.470 0.00 0.00 +0.150 A ATOM 12 N LIG 1 6.119 -1.247 -0.272 0.00 0.00 -0.196 NA ATOM 13 C LIG 1 6.966 -1.283 -1.315 0.00 0.00 +0.218 A ATOM 14 C LIG 1 7.750 -2.367 -1.627 0.00 0.00 +0.087 A ATOM 15 C LIG 1 7.617 -3.451 -0.797 0.00 0.00 +0.118 A ATOM 16 N LIG 1 6.781 -3.481 0.258 0.00 0.00 -0.238 NA BRANCH 13 17 ATOM 17 O LIG 1 7.092 -0.183 -2.140 0.00 0.00 -0.480 OA ATOM 18 C LIG 1 6.202 0.878 -1.803 0.00 0.00 +0.279 C ENDBRANCH 13 17 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 19 ATOM 19 C LIG 1 2.528 1.265 2.308 0.00 0.00 +0.217 C BRANCH 19 21 ATOM 20 C LIG 1 0.654 1.895 3.628 0.00 0.00 +0.194 C ATOM 21 O LIG 1 1.824 2.338 2.952 0.00 0.00 -0.377 OA ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 4 22 ATOM 22 C LIG 1 -0.480 1.022 -1.518 0.00 0.00 +0.178 C BRANCH 22 23 ATOM 23 C LIG 1 -1.864 0.601 -1.091 0.00 0.00 -0.026 A ATOM 24 C LIG 1 -2.510 1.264 -0.038 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -3.787 0.874 0.369 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.443 -0.190 -0.264 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -3.797 -0.854 -1.315 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -2.519 -0.464 -1.724 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 -5.829 -0.604 0.180 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 N LIG 1 -6.863 0.330 -0.262 0.00 0.00 -0.311 N ATOM 31 C LIG 1 -7.347 1.269 0.649 0.00 0.00 +0.252 A ATOM 32 O LIG 1 -6.984 1.371 1.818 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -8.386 2.202 0.132 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -8.800 2.118 -1.138 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -8.243 1.128 -2.022 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -7.310 0.280 -1.573 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10