REMARK Name = BDB060507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.780 0.469 -0.115 0.00 0.00 +0.255 C ATOM 2 N LIG 1 -1.857 -0.380 0.038 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -1.647 -1.359 0.237 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.853 1.674 -0.347 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 5 C LIG 1 6.625 1.181 -0.248 0.00 0.00 +0.044 C ATOM 6 C LIG 1 5.409 0.324 -0.046 0.00 0.00 -0.050 A ATOM 7 C LIG 1 4.124 0.877 -0.172 0.00 0.00 +0.015 A ATOM 8 C LIG 1 2.990 0.076 -0.016 0.00 0.00 +0.019 A ATOM 9 C LIG 1 3.154 -1.276 0.255 0.00 0.00 +0.139 A ATOM 10 O LIG 1 2.039 -2.115 0.419 0.00 0.00 -0.422 OA ATOM 11 C LIG 1 0.743 -1.625 0.315 0.00 0.00 +0.350 A ATOM 12 C LIG 1 0.569 -0.184 0.024 0.00 0.00 +0.122 A ATOM 13 O LIG 1 -0.223 -2.372 0.463 0.00 0.00 -0.244 OA ATOM 14 C LIG 1 4.416 -1.851 0.371 0.00 0.00 +0.047 A ATOM 15 C LIG 1 1.643 0.609 -0.131 0.00 0.00 +0.031 A ATOM 16 C LIG 1 5.545 -1.047 0.214 0.00 0.00 +0.007 A ENDBRANCH 1 12 BRANCH 2 17 ATOM 17 C LIG 1 -3.229 -0.067 -0.040 0.00 0.00 +0.034 A ATOM 18 C LIG 1 -3.733 1.202 -0.320 0.00 0.00 +0.025 A ATOM 19 C LIG 1 -5.116 1.420 -0.378 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -6.018 0.389 -0.115 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -5.513 -0.892 0.105 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -4.133 -1.116 0.163 0.00 0.00 +0.025 A BRANCH 20 23 ATOM 23 N LIG 1 -7.391 0.588 -0.289 0.00 0.00 -0.358 N ATOM 24 H LIG 1 -7.970 -0.079 0.212 0.00 0.00 +0.142 HD ATOM 25 H LIG 1 -7.688 1.547 -0.136 0.00 0.00 +0.142 HD ENDBRANCH 20 23 ENDBRANCH 2 17 TORSDOF 3