REMARK Name = BDB007230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.638 -2.130 -1.343 0.00 0.00 +0.125 C ATOM 2 C LIG 1 1.125 -2.043 -2.789 0.00 0.00 +0.187 C ATOM 3 O LIG 1 -0.285 -2.263 -2.833 0.00 0.00 -0.349 OA ATOM 4 C LIG 1 -0.587 -3.579 -2.362 0.00 0.00 +0.254 C ATOM 5 O LIG 1 -0.063 -3.873 -1.063 0.00 0.00 -0.349 OA ATOM 6 C LIG 1 0.556 -2.745 -0.447 0.00 0.00 +0.187 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.003 -0.747 0.177 0.00 0.00 +0.237 C ATOM 8 N LIG 1 2.070 -0.828 -0.829 0.00 0.00 -0.305 N ATOM 9 H LIG 1 1.554 -0.001 -1.108 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 3.563 -1.718 0.670 0.00 0.00 -0.271 OA BRANCH 7 12 ATOM 11 C LIG 1 4.444 1.048 1.132 0.00 0.00 +0.022 C ATOM 12 C LIG 1 3.263 0.644 0.628 0.00 0.00 +0.066 C BRANCH 11 13 ATOM 13 C LIG 1 5.720 0.242 1.231 0.00 0.00 +0.198 C ATOM 14 C LIG 1 5.913 -0.288 2.649 0.00 0.00 +0.057 C BRANCH 13 15 ATOM 15 O LIG 1 6.791 1.160 0.927 0.00 0.00 -0.443 OA BRANCH 15 17 ATOM 16 N LIG 1 8.926 1.554 0.214 0.00 0.00 -0.268 N ATOM 17 C LIG 1 7.938 0.606 0.446 0.00 0.00 +0.403 C ATOM 18 O LIG 1 8.088 -0.593 0.245 0.00 0.00 -0.226 OA BRANCH 16 20 ATOM 19 C LIG 1 11.087 0.555 0.923 0.00 0.00 +0.024 C ATOM 20 C LIG 1 10.239 1.093 -0.218 0.00 0.00 +0.108 C ENDBRANCH 16 20 BRANCH 16 21 ATOM 21 C LIG 1 8.745 2.967 0.531 0.00 0.00 +0.108 C ATOM 22 C LIG 1 9.036 3.294 1.987 0.00 0.00 +0.024 C ENDBRANCH 16 21 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 11 13 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 C LIG 1 -2.108 -3.841 -2.405 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -2.927 -2.919 -1.525 0.00 0.00 -0.019 C ATOM 25 C LIG 1 -4.030 -2.211 -1.852 0.00 0.00 -0.054 C ATOM 26 C LIG 1 -4.677 -2.226 -3.214 0.00 0.00 +0.043 C BRANCH 25 27 ATOM 27 C LIG 1 -4.646 -1.372 -0.822 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -5.775 -0.652 -0.949 0.00 0.00 +0.004 C BRANCH 28 29 ATOM 29 C LIG 1 -6.357 0.198 0.146 0.00 0.00 +0.145 C ATOM 30 O LIG 1 -6.686 1.455 -0.458 0.00 0.00 -0.366 OA ATOM 31 C LIG 1 -7.570 2.313 0.290 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -8.906 2.371 -0.469 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -6.935 3.711 0.270 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -7.774 1.863 1.752 0.00 0.00 +0.072 C ATOM 35 C LIG 1 -8.178 0.415 1.813 0.00 0.00 +0.098 C ATOM 36 O LIG 1 -8.138 -0.134 3.141 0.00 0.00 -0.368 OA ATOM 37 C LIG 1 -9.433 -0.004 2.547 0.00 0.00 +0.195 C ATOM 38 C LIG 1 -7.585 -0.481 0.764 0.00 0.00 +0.073 C ENDBRANCH 28 29 ENDBRANCH 25 27 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 11