REMARK Name = BDB034292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.355 0.172 0.383 0.00 0.00 -0.294 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.579 1.634 0.278 0.00 0.00 +0.120 C BRANCH 2 6 ATOM 3 C LIG 1 -4.742 1.745 4.184 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -4.446 2.111 2.760 0.00 0.00 -0.050 A ATOM 5 C LIG 1 -3.233 1.737 2.172 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.921 2.080 0.840 0.00 0.00 -0.030 A ATOM 7 C LIG 1 -3.844 2.845 0.098 0.00 0.00 -0.046 A ATOM 8 C LIG 1 -3.578 3.264 -1.321 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -5.052 3.231 0.700 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.349 2.871 2.016 0.00 0.00 +0.003 A ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 -2.222 -0.540 -0.582 0.00 0.00 +0.120 C BRANCH 11 12 ATOM 12 C LIG 1 -2.554 -1.966 -0.191 0.00 0.00 -0.033 A ATOM 13 C LIG 1 -3.000 -2.270 1.104 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.335 -3.580 1.451 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.242 -4.598 0.504 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -2.820 -4.306 -0.791 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -2.483 -2.997 -1.140 0.00 0.00 +0.005 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 18 ATOM 18 C LIG 1 0.080 -0.113 0.180 0.00 0.00 +0.085 C BRANCH 18 19 ATOM 19 C LIG 1 0.514 -1.513 0.634 0.00 0.00 +0.017 C BRANCH 19 20 ATOM 20 C LIG 1 2.038 -1.683 0.667 0.00 0.00 +0.020 C BRANCH 20 21 ATOM 21 C LIG 1 2.674 -1.634 -0.723 0.00 0.00 +0.101 C BRANCH 21 22 ATOM 22 N LIG 1 4.101 -1.987 -0.660 0.00 0.00 -0.343 N ATOM 23 H LIG 1 4.373 -2.475 -1.512 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 4.946 -0.858 -0.489 0.00 0.00 +0.038 A ATOM 25 C LIG 1 5.387 -0.049 -1.570 0.00 0.00 +0.021 A ATOM 26 C LIG 1 6.185 1.077 -1.253 0.00 0.00 +0.074 A ATOM 27 C LIG 1 6.644 1.892 -2.276 0.00 0.00 +0.048 A ATOM 28 C LIG 1 6.332 1.629 -3.607 0.00 0.00 +0.043 A ATOM 29 C LIG 1 5.547 0.535 -3.941 0.00 0.00 +0.021 A ATOM 30 CL LIG 1 6.919 2.666 -4.848 0.00 0.00 -0.083 Cl ATOM 31 N LIG 1 6.521 1.403 0.005 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 6.074 0.618 1.006 0.00 0.00 +0.113 A ATOM 33 C LIG 1 5.076 -0.300 -2.929 0.00 0.00 +0.013 A ATOM 34 C LIG 1 5.291 -0.500 0.813 0.00 0.00 +0.043 A ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 10