REMARK Name = BDB013905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.887 0.356 -0.128 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.328 -0.885 0.588 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.910 -1.338 1.582 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.059 -1.321 0.198 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.057 -2.107 -1.023 0.00 0.00 +0.040 A ATOM 6 C LIG 1 0.824 -1.974 -2.125 0.00 0.00 -0.026 A ATOM 7 C LIG 1 0.686 -2.834 -3.244 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.321 -3.787 -3.317 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.206 -3.906 -2.264 0.00 0.00 +0.002 A ATOM 10 C LIG 1 1.949 -0.971 -2.244 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.069 -3.082 -1.141 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.634 0.376 -1.623 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.008 1.618 0.139 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.316 0.429 0.200 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.639 -0.283 0.849 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.525 2.630 -0.373 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.469 1.569 0.662 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.554 1.030 2.087 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 7.412 2.965 0.221 0.00 0.00 +0.101 C ATOM 20 N LIG 1 6.022 2.942 0.648 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 5.458 3.496 -0.009 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.817 -1.612 1.353 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -2.301 -1.264 1.210 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.749 0.023 0.769 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -4.139 0.251 0.609 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -4.618 1.490 0.144 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -3.751 2.547 -0.153 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -2.384 2.350 0.036 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -5.053 -0.757 0.930 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -4.622 -1.982 1.432 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -1.900 1.117 0.493 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.261 -2.238 1.590 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 -4.275 3.821 -0.633 0.00 0.00 +0.202 A ATOM 34 N LIG 1 -3.509 4.883 -0.939 0.00 0.00 -0.056 NA ATOM 35 O LIG 1 -4.428 5.849 -1.344 0.00 0.00 -0.341 OA ATOM 36 C LIG 1 -5.652 5.277 -1.242 0.00 0.00 +0.343 A ATOM 37 N LIG 1 -5.627 4.041 -0.815 0.00 0.00 -0.194 NA ENDBRANCH 27 33 BRANCH 32 38 ATOM 38 O LIG 1 -2.766 -3.417 2.088 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 -3.693 -4.370 2.593 0.00 0.00 +0.277 C ENDBRANCH 32 38 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7