REMARK Name = BDB002368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.562 -0.644 0.098 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.900 -1.096 1.216 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -0.159 -2.102 1.113 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -0.267 -2.665 2.533 0.00 0.00 +0.033 C ATOM 5 C LIG 1 0.141 -1.487 3.414 0.00 0.00 +0.021 C ATOM 6 C LIG 1 1.240 -0.818 2.602 0.00 0.00 +0.109 C ATOM 7 O LIG 1 1.309 -1.082 -1.030 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.454 -1.484 0.665 0.00 0.00 +0.217 A ATOM 9 O LIG 1 -1.620 -0.139 0.873 0.00 0.00 -0.437 OA ATOM 10 C LIG 1 -2.861 0.144 0.363 0.00 0.00 +0.163 A ATOM 11 C LIG 1 -3.404 -1.053 -0.070 0.00 0.00 +0.117 A ATOM 12 N LIG 1 -2.496 -2.076 0.117 0.00 0.00 -0.211 NA BRANCH 10 13 ATOM 13 C LIG 1 -3.233 1.551 0.382 0.00 0.00 +0.019 A ATOM 14 C LIG 1 -2.886 2.363 1.472 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -3.238 3.715 1.496 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.936 4.272 0.428 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.279 3.481 -0.666 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -3.927 2.128 -0.690 0.00 0.00 +0.011 A ENDBRANCH 10 13 BRANCH 11 19 ATOM 19 C LIG 1 -4.714 -1.280 -0.649 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -4.846 -2.179 -1.716 0.00 0.00 +0.010 A ATOM 21 C LIG 1 -6.095 -2.422 -2.290 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.226 -1.776 -1.797 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -7.111 -0.893 -0.725 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -5.861 -0.649 -0.148 0.00 0.00 +0.010 A ENDBRANCH 11 19 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.584 0.498 0.284 0.00 0.00 +0.159 C BRANCH 25 26 ATOM 26 N LIG 1 3.539 0.404 -0.818 0.00 0.00 -0.303 N ATOM 27 H LIG 1 3.114 0.382 -1.740 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 4.686 -0.352 -0.670 0.00 0.00 +0.230 C ATOM 29 O LIG 1 5.064 -0.789 0.417 0.00 0.00 -0.274 OA BRANCH 28 30 ATOM 30 C LIG 1 5.447 -0.609 -1.990 0.00 0.00 +0.137 C ATOM 31 C LIG 1 4.812 -1.800 -2.702 0.00 0.00 +0.034 C BRANCH 30 32 ATOM 32 N LIG 1 6.870 -0.910 -1.727 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 6.900 -1.554 -0.930 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 7.616 0.291 -1.368 0.00 0.00 +0.101 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 25 26 BRANCH 25 36 ATOM 35 C LIG 1 2.757 3.009 0.601 0.00 0.00 +0.006 C ATOM 36 C LIG 1 1.844 1.841 0.257 0.00 0.00 +0.028 C ENDBRANCH 25 36 ENDBRANCH 1 25 TORSDOF 8