REMARK Name = BDB019365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.394 -0.531 -0.075 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -0.729 0.285 -0.520 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.765 0.576 0.334 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.772 0.143 1.493 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -0.672 0.517 -1.957 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.708 0.012 -2.381 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.991 -1.093 -1.363 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 2.302 -0.422 1.453 0.00 0.00 -0.310 N ATOM 9 H LIG 1 2.210 -1.428 1.480 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 1.450 0.319 0.660 0.00 0.00 +0.234 C ATOM 11 O LIG 1 1.578 1.529 0.486 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 3.474 0.162 2.064 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 6.912 -0.667 -0.432 0.00 0.00 -0.010 A ATOM 14 C LIG 1 6.103 0.449 -0.678 0.00 0.00 +0.009 A ATOM 15 C LIG 1 5.001 0.721 0.137 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.691 -0.114 1.219 0.00 0.00 -0.030 A ATOM 17 C LIG 1 5.498 -1.232 1.464 0.00 0.00 +0.006 A ATOM 18 C LIG 1 6.600 -1.502 0.649 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 10.028 -0.935 0.393 0.00 0.00 +0.067 C ATOM 20 C LIG 1 9.412 -1.098 -0.951 0.00 0.00 +0.053 A ATOM 21 C LIG 1 8.069 -0.961 -1.278 0.00 0.00 +0.042 A ATOM 22 S LIG 1 7.859 -1.226 -2.966 0.00 0.00 -0.075 S ATOM 23 C LIG 1 9.540 -1.504 -3.119 0.00 0.00 +0.156 A ATOM 24 N LIG 1 10.245 -1.417 -2.015 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 0.707 -0.503 -3.701 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 1.610 -0.809 -3.898 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -2.932 1.457 -0.184 0.00 0.00 +0.164 C BRANCH 27 28 ATOM 28 C LIG 1 -2.854 2.941 0.296 0.00 0.00 -0.011 C ATOM 29 C LIG 1 -1.601 3.631 -0.277 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -2.819 3.077 1.831 0.00 0.00 +0.013 C ATOM 31 C LIG 1 -4.088 3.709 -0.228 0.00 0.00 +0.013 C ENDBRANCH 27 28 BRANCH 27 32 ATOM 32 N LIG 1 -4.148 0.789 0.298 0.00 0.00 -0.303 N ATOM 33 H LIG 1 -4.195 0.667 1.303 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -4.765 -0.179 -0.468 0.00 0.00 +0.217 C ATOM 35 O LIG 1 -4.463 -0.391 -1.637 0.00 0.00 -0.275 OA BRANCH 34 36 ATOM 36 C LIG 1 -5.849 -0.953 0.282 0.00 0.00 +0.075 C ATOM 37 C LIG 1 -6.773 -1.726 -0.677 0.00 0.00 +0.013 C ATOM 38 C LIG 1 -7.435 -2.952 -0.042 0.00 0.00 +0.001 C ATOM 39 C LIG 1 -7.622 -2.785 1.458 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -6.286 -2.587 2.175 0.00 0.00 +0.001 C ATOM 41 C LIG 1 -5.224 -1.900 1.313 0.00 0.00 +0.013 C ENDBRANCH 34 36 ENDBRANCH 27 32 ENDBRANCH 3 27 TORSDOF 9