REMARK Name = BDB022267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.912 -4.497 -0.862 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -0.451 -3.124 -0.985 0.00 0.00 -0.311 N ATOM 3 C LIG 1 -1.350 -2.040 -0.761 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -0.894 -0.718 -0.900 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -1.816 0.339 -0.734 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -3.161 0.118 -0.406 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -3.581 -1.199 -0.237 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.531 -0.445 -1.235 0.00 0.00 +0.042 A ATOM 9 C LIG 1 1.319 -1.506 -1.459 0.00 0.00 +0.093 A ATOM 10 C LIG 1 -2.693 -2.264 -0.421 0.00 0.00 +0.028 A ATOM 11 C LIG 1 0.865 -2.908 -1.357 0.00 0.00 +0.253 A ATOM 12 O LIG 1 1.677 -3.802 -1.592 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 -4.004 1.230 -0.211 0.00 0.00 -0.313 N ATOM 14 H LIG 1 -3.725 2.030 -0.777 0.00 0.00 +0.152 HD BRANCH 13 15 ATOM 15 C LIG 1 -5.182 1.395 0.552 0.00 0.00 +0.054 A ATOM 16 C LIG 1 -6.184 2.303 0.162 0.00 0.00 +0.110 A ATOM 17 C LIG 1 -7.333 2.381 0.937 0.00 0.00 +0.149 A ATOM 18 CL LIG 1 -8.638 3.447 0.578 0.00 0.00 -0.061 Cl ATOM 19 N LIG 1 -7.563 1.643 2.042 0.00 0.00 -0.227 NA ATOM 20 CA LIG 1 -6.595 0.773 2.410 0.00 0.00 +0.151 A ATOM 21 C LIG 1 -5.409 0.621 1.699 0.00 0.00 +0.059 A BRANCH 16 22 ATOM 22 C LIG 1 -6.027 3.122 -0.998 0.00 0.00 +0.104 C ATOM 23 N LIG 1 -5.840 3.778 -1.936 0.00 0.00 -0.191 NA ENDBRANCH 16 22 BRANCH 20 24 ATOM 24 C LIG 1 -6.877 -0.026 3.644 0.00 0.00 +0.355 C ATOM 25 O LIG 1 -7.857 0.055 4.360 0.00 0.00 -0.243 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -5.898 -0.911 3.928 0.00 0.00 -0.476 OA ATOM 27 HXT LIG 1 -6.220 -1.348 4.747 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 20 24 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 8 28 ATOM 28 N LIG 1 0.923 0.897 -1.257 0.00 0.00 -0.331 N ATOM 29 H LIG 1 0.695 1.303 -0.346 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 2.231 1.464 -1.690 0.00 0.00 +0.086 C ATOM 31 C LIG 1 2.487 1.131 -3.172 0.00 0.00 +0.039 C ATOM 32 C LIG 1 2.103 3.001 -1.585 0.00 0.00 +0.039 C BRANCH 30 33 ATOM 33 C LIG 1 3.377 1.040 -0.753 0.00 0.00 +0.151 A ATOM 34 N LIG 1 4.538 0.618 -1.289 0.00 0.00 -0.238 NA ATOM 35 C LIG 1 5.503 0.234 -0.422 0.00 0.00 +0.118 A ATOM 36 C LIG 1 5.396 0.251 0.959 0.00 0.00 -0.008 A ATOM 37 C LIG 1 4.162 0.718 1.384 0.00 0.00 +0.118 A ATOM 38 N LIG 1 3.153 1.117 0.578 0.00 0.00 -0.238 NA BRANCH 36 39 ATOM 39 C LIG 1 6.468 -0.180 1.931 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.340 -1.379 1.642 0.00 0.00 +0.009 C ATOM 41 C LIG 1 7.934 -0.001 1.618 0.00 0.00 +0.009 C ENDBRANCH 36 39 ENDBRANCH 30 33 ENDBRANCH 28 30 ENDBRANCH 8 28 TORSDOF 9