REMARK Name = BDB001388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.768 -1.185 0.127 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -1.889 -0.168 1.181 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -3.190 0.298 1.306 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -3.651 1.030 2.163 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -3.987 -0.318 0.248 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -5.325 -0.132 -0.050 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -5.858 -0.877 -1.103 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.051 -1.778 -1.820 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -3.702 -1.951 -1.492 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -3.176 -1.212 -0.439 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -1.366 -2.579 0.627 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.999 -3.155 1.748 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -1.646 -4.428 2.202 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -0.661 -5.155 1.541 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -0.034 -4.614 0.422 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -0.387 -3.341 -0.034 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 -0.998 -0.726 -0.990 0.00 0.00 -0.345 OA BRANCH 17 18 ATOM 18 C LIG 1 0.218 -0.039 -0.705 0.00 0.00 +0.199 C BRANCH 18 19 ATOM 19 C LIG 1 1.072 0.060 -1.980 0.00 0.00 +0.170 C BRANCH 19 23 ATOM 20 C LIG 1 4.295 2.914 -1.484 0.00 0.00 +0.120 A ATOM 21 C LIG 1 3.212 3.200 -2.316 0.00 0.00 +0.046 A ATOM 22 C LIG 1 2.175 2.279 -2.485 0.00 0.00 +0.010 A ATOM 23 C LIG 1 2.208 1.048 -1.819 0.00 0.00 -0.017 A ATOM 24 C LIG 1 3.298 0.767 -0.982 0.00 0.00 +0.010 A ATOM 25 C LIG 1 4.335 1.691 -0.816 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 6.365 3.656 -0.579 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.236 3.904 -1.408 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 23 BRANCH 19 28 ATOM 28 O LIG 1 1.611 -1.228 -2.309 0.00 0.00 -0.385 OA ATOM 29 H LIG 1 2.330 -1.070 -2.946 0.00 0.00 +0.210 HD ENDBRANCH 19 28 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -0.953 -0.040 2.291 0.00 0.00 +0.185 C BRANCH 30 31 ATOM 31 C LIG 1 -0.316 1.305 2.300 0.00 0.00 +0.122 A ATOM 32 O LIG 1 1.029 1.343 2.058 0.00 0.00 -0.466 OA ATOM 33 C LIG 1 1.404 2.647 2.088 0.00 0.00 +0.195 A ATOM 34 C LIG 1 0.325 3.452 2.365 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -0.786 2.587 2.509 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9