REMARK Name = BDB020603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.903 2.663 -0.176 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.873 1.760 0.366 0.00 0.00 -0.015 A ATOM 3 C LIG 1 -1.371 0.476 0.984 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.433 2.156 0.322 0.00 0.00 +0.067 A ATOM 5 N LIG 1 0.721 3.450 -0.197 0.00 0.00 -0.316 N ATOM 6 C LIG 1 -0.262 4.327 -0.660 0.00 0.00 +0.047 A ATOM 7 C LIG 1 0.329 5.503 -1.068 0.00 0.00 +0.027 A ATOM 8 C LIG 1 1.715 5.367 -0.863 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.929 4.113 -0.336 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -1.611 3.889 -0.646 0.00 0.00 +0.039 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 -3.577 1.294 -1.187 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -2.798 0.865 -1.674 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -3.342 2.288 -0.273 0.00 0.00 +0.245 C ATOM 14 O LIG 1 -4.202 2.839 0.402 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -4.872 0.673 -1.344 0.00 0.00 +0.145 C BRANCH 15 22 ATOM 16 C LIG 1 -4.811 -4.411 1.482 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -4.880 -3.064 0.834 0.00 0.00 +0.016 A ATOM 18 N LIG 1 -4.210 -2.904 -0.352 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -3.692 -3.676 -0.753 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 -4.165 -1.734 -1.067 0.00 0.00 +0.254 A ATOM 21 O LIG 1 -3.520 -1.648 -2.108 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 -4.924 -0.569 -0.502 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -5.585 -0.736 0.666 0.00 0.00 -0.039 A ATOM 24 C LIG 1 -6.382 0.323 1.378 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -5.551 -2.023 1.347 0.00 0.00 +0.024 A ENDBRANCH 15 22 ENDBRANCH 11 15 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 1.578 1.267 0.812 0.00 0.00 +0.217 C ATOM 27 C LIG 1 2.112 1.753 2.163 0.00 0.00 +0.059 C BRANCH 26 28 ATOM 28 O LIG 1 2.614 1.245 -0.178 0.00 0.00 -0.483 OA BRANCH 28 29 ATOM 29 C LIG 1 3.433 0.161 -0.290 0.00 0.00 +0.122 A ATOM 30 C LIG 1 3.480 -0.944 0.547 0.00 0.00 +0.047 A ATOM 31 C LIG 1 4.394 -1.984 0.299 0.00 0.00 +0.026 A ATOM 32 C LIG 1 5.298 -1.960 -0.777 0.00 0.00 +0.029 A ATOM 33 C LIG 1 5.215 -0.835 -1.612 0.00 0.00 +0.026 A ATOM 34 C LIG 1 4.308 0.208 -1.371 0.00 0.00 +0.047 A BRANCH 32 35 ATOM 35 N LIG 1 6.190 -3.011 -1.021 0.00 0.00 -0.336 N ATOM 36 C LIG 1 7.234 -2.839 -2.030 0.00 0.00 +0.129 C ATOM 37 C LIG 1 6.517 -3.922 0.075 0.00 0.00 +0.129 C ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 7