REMARK Name = BDB039534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.640 -1.210 0.243 0.00 0.00 +0.240 C ATOM 2 C LIG 1 0.544 -0.498 1.621 0.00 0.00 +0.036 C ATOM 3 C LIG 1 0.191 -1.482 2.755 0.00 0.00 +0.030 C ATOM 4 C LIG 1 -1.306 -1.499 3.092 0.00 0.00 +0.086 C ATOM 5 N LIG 1 -2.100 -1.239 1.893 0.00 0.00 -0.298 NA ATOM 6 C LIG 1 -1.915 0.148 1.427 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -0.474 0.654 1.592 0.00 0.00 +0.030 C ATOM 8 C LIG 1 1.944 0.036 1.674 0.00 0.00 +0.004 A ATOM 9 C LIG 1 2.647 0.602 2.743 0.00 0.00 +0.008 A ATOM 10 C LIG 1 3.937 1.097 2.522 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.455 1.010 1.235 0.00 0.00 +0.045 A ATOM 12 C LIG 1 5.760 1.453 0.732 0.00 0.00 +0.248 C ATOM 13 O LIG 1 6.596 2.037 1.392 0.00 0.00 -0.270 OA ATOM 14 N LIG 1 5.827 1.079 -0.605 0.00 0.00 -0.281 N ATOM 15 C LIG 1 4.551 0.545 -1.083 0.00 0.00 +0.148 C ATOM 16 C LIG 1 3.755 0.460 0.166 0.00 0.00 +0.024 A ATOM 17 C LIG 1 2.502 -0.030 0.400 0.00 0.00 +0.130 A ATOM 18 O LIG 1 1.683 -0.579 -0.543 0.00 0.00 -0.490 OA ENDROOT BRANCH 14 19 ATOM 19 C LIG 1 6.917 1.497 -1.490 0.00 0.00 +0.163 C ATOM 20 C LIG 1 6.662 1.156 -2.966 0.00 0.00 +0.240 C ATOM 21 O LIG 1 5.857 1.771 -3.663 0.00 0.00 -0.273 OA ATOM 22 N LIG 1 7.268 0.021 -3.451 0.00 0.00 -0.255 N ATOM 23 H LIG 1 7.024 -0.236 -4.398 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.966 -0.923 -2.742 0.00 0.00 +0.219 C ATOM 25 O LIG 1 8.256 -2.003 -3.249 0.00 0.00 -0.275 OA ATOM 26 C LIG 1 8.290 -0.592 -1.306 0.00 0.00 +0.098 C ATOM 27 C LIG 1 8.271 0.910 -1.073 0.00 0.00 +0.041 C ENDBRANCH 14 19 BRANCH 5 28 ATOM 28 C LIG 1 -3.522 -1.550 2.117 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 C LIG 1 -4.341 -1.533 0.844 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.396 -0.619 0.683 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -6.158 -0.591 -0.495 0.00 0.00 -0.015 A ATOM 32 C LIG 1 -5.854 -1.501 -1.516 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -4.809 -2.416 -1.366 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.058 -2.432 -0.193 0.00 0.00 +0.005 A BRANCH 31 35 ATOM 35 C LIG 1 -7.244 0.364 -0.637 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -7.677 0.911 -1.828 0.00 0.00 +0.116 A ATOM 37 N LIG 1 -8.694 1.764 -1.513 0.00 0.00 -0.274 N ATOM 38 C LIG 1 -9.463 2.574 -2.427 0.00 0.00 +0.172 C ATOM 39 N LIG 1 -8.959 1.820 -0.196 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 -8.077 0.969 0.334 0.00 0.00 +0.142 A ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 4