REMARK Name = BDB034743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.271 -4.784 -1.639 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -1.120 -3.383 -1.369 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.099 -2.699 -1.288 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -0.177 -1.363 -0.985 0.00 0.00 +0.072 A ATOM 5 C LIG 1 0.825 -0.424 -0.829 0.00 0.00 +0.054 A ATOM 6 C LIG 1 2.152 -0.853 -0.963 0.00 0.00 +0.070 A ATOM 7 C LIG 1 2.401 -2.213 -1.294 0.00 0.00 +0.147 A ATOM 8 F LIG 1 3.675 -2.612 -1.445 0.00 0.00 -0.203 F ATOM 9 N LIG 1 -1.569 -1.224 -0.888 0.00 0.00 -0.292 N ATOM 10 C LIG 1 1.386 -3.155 -1.454 0.00 0.00 +0.068 A ATOM 11 C LIG 1 -2.175 -2.482 -1.105 0.00 0.00 +0.330 A ATOM 12 O LIG 1 -3.368 -2.736 -1.068 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 3.259 0.030 -0.859 0.00 0.00 -0.296 N ATOM 14 H LIG 1 4.131 -0.499 -0.912 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 3.386 1.199 -0.070 0.00 0.00 +0.145 A ATOM 16 C LIG 1 4.466 2.050 -0.259 0.00 0.00 +0.128 A ATOM 17 C LIG 1 4.489 3.172 0.540 0.00 0.00 +0.152 A ATOM 18 CL LIG 1 5.744 4.351 0.464 0.00 0.00 -0.060 Cl ATOM 19 N LIG 1 3.556 3.479 1.459 0.00 0.00 -0.223 NA ATOM 20 C LIG 1 2.557 2.606 1.561 0.00 0.00 +0.225 A ATOM 21 N LIG 1 2.425 1.488 0.835 0.00 0.00 -0.219 NA BRANCH 16 22 ATOM 22 C LIG 1 5.485 1.781 -1.215 0.00 0.00 +0.106 C ATOM 23 N LIG 1 6.312 1.522 -1.987 0.00 0.00 -0.191 NA ENDBRANCH 16 22 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 9 24 ATOM 24 C LIG 1 -2.273 -0.021 -0.513 0.00 0.00 +0.130 C BRANCH 24 25 ATOM 25 C LIG 1 -2.272 0.194 1.004 0.00 0.00 +0.056 C BRANCH 25 26 ATOM 26 C LIG 1 -3.017 1.456 1.480 0.00 0.00 +0.062 C ATOM 27 C LIG 1 -2.496 2.739 0.829 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -2.891 1.569 3.004 0.00 0.00 +0.041 C BRANCH 26 29 ATOM 29 O LIG 1 -4.412 1.333 1.199 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -4.555 1.385 0.240 0.00 0.00 +0.210 HD ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7