REMARK Name = BDB064477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.910 1.996 -1.517 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -1.722 1.915 -2.830 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -1.935 2.901 -3.542 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -2.178 0.699 -3.264 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -2.507 0.730 -4.222 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.128 -0.538 -2.611 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.083 -0.710 -1.220 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -1.919 -2.005 -0.691 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -1.873 -3.118 -1.531 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.997 -2.950 -2.905 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.254 0.424 -0.267 0.00 0.00 +0.082 C ATOM 12 C LIG 1 -2.130 -1.669 -3.441 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -1.722 1.591 -0.380 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -3.116 0.158 0.929 0.00 0.00 +0.065 A ATOM 15 C LIG 1 -4.434 -0.550 0.852 0.00 0.00 +0.258 A ATOM 16 O LIG 1 -4.915 -0.946 -0.205 0.00 0.00 -0.267 OA ATOM 17 N LIG 1 -5.089 -0.741 2.050 0.00 0.00 -0.329 N ATOM 18 H LIG 1 -5.984 -1.214 1.990 0.00 0.00 +0.168 HD ATOM 19 C LIG 1 -4.618 -0.307 3.260 0.00 0.00 +0.086 A ATOM 20 C LIG 1 -3.452 0.344 3.334 0.00 0.00 +0.018 A ATOM 21 C LIG 1 -2.687 0.586 2.132 0.00 0.00 +0.017 A ENDBRANCH 11 14 BRANCH 1 24 ATOM 22 O LIG 1 1.722 3.012 -2.065 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 1.526 1.826 -1.847 0.00 0.00 +0.246 C ATOM 24 N LIG 1 0.321 1.242 -1.550 0.00 0.00 -0.282 N ATOM 25 H LIG 1 0.277 0.238 -1.481 0.00 0.00 +0.151 HD BRANCH 23 26 ATOM 26 C LIG 1 2.651 0.873 -1.853 0.00 0.00 +0.041 A ATOM 27 C LIG 1 3.410 0.647 -0.691 0.00 0.00 -0.021 A ATOM 28 C LIG 1 4.441 -0.306 -0.754 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.700 -1.004 -1.937 0.00 0.00 +0.000 A ATOM 30 C LIG 1 3.937 -0.762 -3.078 0.00 0.00 +0.001 A ATOM 31 C LIG 1 2.910 0.178 -3.040 0.00 0.00 +0.013 A BRANCH 27 32 ATOM 32 C LIG 1 3.158 1.394 0.603 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 2.754 0.510 1.714 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 1.411 -0.066 1.492 0.00 0.00 +0.113 C ATOM 35 C LIG 1 0.957 -0.905 2.697 0.00 0.00 +0.175 C ATOM 36 O LIG 1 0.934 -0.119 3.896 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 2.240 0.415 4.151 0.00 0.00 +0.175 C ATOM 38 C LIG 1 2.725 1.281 2.978 0.00 0.00 +0.113 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 23 26 ENDBRANCH 1 24 TORSDOF 5