REMARK Name = BDB001050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.319 -0.819 -1.089 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.262 -0.762 -0.054 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.127 -1.842 0.178 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -2.014 -2.983 -0.632 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.089 -3.029 -1.678 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.249 -1.943 -1.916 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 0.679 0.699 -2.539 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.572 0.331 -1.371 0.00 0.00 +0.247 C ATOM 9 N LIG 1 1.224 0.955 -0.306 0.00 0.00 -0.295 N ATOM 10 C LIG 1 1.720 0.207 0.859 0.00 0.00 +0.127 C ATOM 11 C LIG 1 3.191 -0.226 0.657 0.00 0.00 +0.125 C ATOM 12 N LIG 1 4.033 0.945 0.316 0.00 0.00 -0.312 N ATOM 13 C LIG 1 3.525 1.691 -0.866 0.00 0.00 +0.125 C ATOM 14 C LIG 1 2.063 2.116 -0.624 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 5.398 0.609 0.196 0.00 0.00 +0.121 A ATOM 16 N LIG 1 6.036 0.785 -0.982 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 7.347 0.465 -1.060 0.00 0.00 +0.113 A ATOM 18 C LIG 1 8.087 -0.027 -0.002 0.00 0.00 +0.020 A ATOM 19 C LIG 1 7.441 -0.193 1.212 0.00 0.00 +0.005 A ATOM 20 C LIG 1 6.089 0.132 1.312 0.00 0.00 +0.043 A ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -3.131 -1.820 1.309 0.00 0.00 +0.093 C BRANCH 21 22 ATOM 22 C LIG 1 -3.841 -0.485 1.487 0.00 0.00 +0.074 A ATOM 23 C LIG 1 -4.909 -0.076 0.538 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -5.517 1.158 0.760 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -6.531 1.618 -0.090 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -6.937 0.836 -1.169 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.332 -0.399 -1.398 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.080 1.980 1.900 0.00 0.00 +0.272 A ATOM 29 O LIG 1 -5.592 3.068 2.138 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 -4.076 1.454 2.674 0.00 0.00 -0.242 N ATOM 31 H LIG 1 -3.763 2.009 3.465 0.00 0.00 +0.192 HD ATOM 32 C LIG 1 -5.320 -0.858 -0.548 0.00 0.00 +0.010 A ATOM 33 N LIG 1 -3.463 0.255 2.489 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 4