REMARK Name = BDB011382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.461 0.631 -0.043 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.494 -0.275 0.400 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.720 0.323 0.220 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.144 -0.037 0.428 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.797 1.262 0.040 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.836 2.216 -0.414 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.994 3.352 -0.829 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.556 1.580 -0.268 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.806 1.798 -0.447 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.170 1.503 0.149 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.773 2.598 -0.357 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -6.140 2.824 -0.263 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.678 4.036 -0.864 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -7.011 1.927 0.357 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -8.226 2.091 0.431 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -6.351 0.722 0.947 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -7.330 -0.426 1.779 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -5.026 0.549 0.841 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 3.771 0.765 0.941 0.00 0.00 +0.228 A ATOM 20 C LIG 1 2.902 0.399 -0.068 0.00 0.00 +0.078 A ATOM 21 C LIG 1 3.522 -0.160 -1.159 0.00 0.00 +0.129 A ATOM 22 N LIG 1 4.850 -0.385 -1.242 0.00 0.00 -0.222 NA ATOM 23 C LIG 1 5.617 -0.017 -0.201 0.00 0.00 +0.220 A ATOM 24 N LIG 1 5.104 0.559 0.898 0.00 0.00 -0.179 NA BRANCH 23 25 ATOM 25 N LIG 1 6.988 -0.271 -0.251 0.00 0.00 -0.306 N ATOM 26 C LIG 1 7.786 0.550 0.646 0.00 0.00 +0.132 C ATOM 27 C LIG 1 7.514 -0.474 -1.592 0.00 0.00 +0.132 C ENDBRANCH 23 25 BRANCH 19 29 ATOM 28 C LIG 1 4.195 1.721 3.044 0.00 0.00 +0.279 C ATOM 29 O LIG 1 3.225 1.355 2.069 0.00 0.00 -0.479 OA ENDBRANCH 19 29 ENDBRANCH 1 20 BRANCH 4 30 ATOM 30 C LIG 1 -2.577 -1.213 -0.437 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -2.935 -2.432 0.165 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -3.323 -3.527 -0.612 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.357 -3.423 -2.006 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -3.000 -2.219 -2.617 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.612 -1.124 -1.840 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 C LIG 1 -3.751 -4.548 -2.802 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.065 -5.463 -3.443 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 4 30 BRANCH 2 38 ATOM 38 C LIG 1 0.675 -1.620 0.949 0.00 0.00 +0.081 C ATOM 39 C LIG 1 1.605 -1.686 2.160 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.057 -2.640 -0.122 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7