REMARK Name = BDB008746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.082 1.238 -0.898 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.229 1.101 0.135 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.067 -0.154 0.529 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.452 -1.293 -0.059 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.342 -1.151 -1.127 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.669 0.151 -1.531 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.955 -2.323 -1.734 0.00 0.00 +0.086 A ATOM 8 C LIG 1 -2.098 -2.635 -3.090 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -2.800 -3.785 -3.550 0.00 0.00 +0.185 A ATOM 10 N LIG 1 -2.809 -3.851 -4.880 0.00 0.00 -0.151 NA ATOM 11 N LIG 1 -2.114 -2.765 -5.264 0.00 0.00 -0.269 N ATOM 12 C LIG 1 -1.965 -2.508 -6.679 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -3.365 -4.677 -2.708 0.00 0.00 -0.211 NA ATOM 14 C LIG 1 -3.169 -4.345 -1.407 0.00 0.00 +0.129 A ATOM 15 C LIG 1 -3.728 -5.296 -0.389 0.00 0.00 +0.088 C ATOM 16 C LIG 1 -1.592 -2.025 -4.223 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -0.687 -0.868 -4.449 0.00 0.00 +0.066 C ATOM 18 N LIG 1 -2.509 -3.253 -0.896 0.00 0.00 -0.232 NA ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 -1.997 3.053 -2.351 0.00 0.00 +0.235 C ATOM 20 N LIG 1 -1.312 2.561 -1.262 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -0.921 3.245 -0.625 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 -2.518 2.380 -3.236 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 -1.963 4.601 -2.396 0.00 0.00 +0.137 C ATOM 24 C LIG 1 -2.869 5.166 -3.489 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 -3.566 4.977 -0.563 0.00 0.00 +0.101 C ATOM 26 N LIG 1 -2.203 5.180 -1.050 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 -2.028 6.186 -1.093 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 C LIG 1 0.997 -0.237 1.609 0.00 0.00 -0.041 C ATOM 29 C LIG 1 1.801 -0.306 2.500 0.00 0.00 -0.060 C BRANCH 29 30 ATOM 30 C LIG 1 2.769 -0.381 3.550 0.00 0.00 +0.026 A ATOM 31 C LIG 1 3.892 0.450 3.527 0.00 0.00 +0.025 A ATOM 32 C LIG 1 4.859 0.389 4.546 0.00 0.00 -0.014 A ATOM 33 C LIG 1 4.700 -0.524 5.613 0.00 0.00 +0.003 A ATOM 34 C LIG 1 5.709 -0.538 6.605 0.00 0.00 +0.046 A ATOM 35 N LIG 1 6.800 0.273 6.572 0.00 0.00 -0.260 NA ATOM 36 C LIG 1 6.909 1.128 5.539 0.00 0.00 +0.111 A ATOM 37 C LIG 1 5.642 -1.465 7.786 0.00 0.00 +0.066 C ATOM 38 C LIG 1 3.551 -1.353 5.619 0.00 0.00 +0.011 A ATOM 39 C LIG 1 5.981 1.223 4.518 0.00 0.00 +0.028 A ATOM 40 C LIG 1 2.598 -1.281 4.599 0.00 0.00 +0.017 A ENDBRANCH 29 30 ENDBRANCH 3 28 TORSDOF 6