REMARK Name = BDB006357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.063 -1.850 3.408 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.376 -0.777 2.422 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.347 -0.483 1.224 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.294 0.585 0.593 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.164 1.107 -0.631 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.300 0.536 -1.212 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.970 -0.519 -0.593 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.376 0.935 1.384 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.493 -1.045 0.617 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.427 0.124 2.503 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.482 0.251 3.551 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.178 -1.077 -1.261 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.135 -1.621 -0.428 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.085 -1.392 0.554 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.296 -1.007 -2.480 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.433 -2.031 -0.939 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.898 -3.301 -0.222 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.412 -0.869 -0.834 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.565 -0.009 -1.938 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -7.428 1.088 -1.884 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -8.144 1.341 -0.709 0.00 0.00 +0.126 A ATOM 22 C LIG 1 -7.995 0.508 0.406 0.00 0.00 +0.033 A ATOM 23 C LIG 1 -7.127 -0.587 0.341 0.00 0.00 +0.007 A BRANCH 21 24 ATOM 24 N LIG 1 -9.051 2.492 -0.642 0.00 0.00 +0.056 N ATOM 25 O LIG 1 -9.166 3.199 -1.654 0.00 0.00 -0.126 OA ATOM 26 O LIG 1 -9.651 2.692 0.425 0.00 0.00 -0.126 OA ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.296 2.036 1.094 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 3.643 1.569 0.593 0.00 0.00 -0.028 A ATOM 29 C LIG 1 3.759 0.656 -0.464 0.00 0.00 +0.006 A ATOM 30 C LIG 1 5.017 0.258 -0.929 0.00 0.00 +0.009 A ATOM 31 C LIG 1 6.196 0.766 -0.363 0.00 0.00 -0.016 A ATOM 32 C LIG 1 6.072 1.692 0.685 0.00 0.00 +0.009 A ATOM 33 C LIG 1 4.816 2.092 1.153 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 7.517 0.344 -0.852 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.513 -0.115 0.012 0.00 0.00 +0.119 A ATOM 36 N LIG 1 9.752 -0.512 -0.370 0.00 0.00 -0.263 NA ATOM 37 C LIG 1 10.021 -0.458 -1.690 0.00 0.00 +0.111 A ATOM 38 C LIG 1 9.113 -0.025 -2.641 0.00 0.00 +0.020 A ATOM 39 C LIG 1 7.849 0.380 -2.212 0.00 0.00 +0.011 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 7